@prefix concept: .
@prefix collectie: .
@prefix classificationlevel: .
@prefix list: .
@prefix access_right: .
@prefix adms: .
@prefix assettype: .
@prefix bioindicator: .
@prefix chebi: .
@prefix chemische_stof: .
@prefix compound: .
@prefix conceptscheme: .
@prefix country: .
@prefix datasets: .
@prefix datatheme_be: .
@prefix datatheme_eu: .
@prefix dbo: .
@prefix dbp: .
@prefix dcat: .
@prefix dc: .
@prefix dcterms: .
@prefix dct: .
@prefix eurovoc: .
@prefix file_type: .
@prefix foaf: .
@prefix formats: .
@prefix frequency: .
@prefix gemet: .
@prefix licence: .
@prefix obo: .
@prefix observatieprocedure: .
@prefix metadata: .
@prefix omg_catalog: .
@prefix omg_catalog_doc: .
@prefix omg_collection: .
@prefix omg_dataservice: .
@prefix omg_dataset_doc: .
@prefix omg_dataset: .
@prefix omg_distribution_doc: .
@prefix omg_distribution: .
@prefix omg_graphcollection: .
@prefix omg_graph: .
@prefix omg_id: .
@prefix omg_named_graph: .
@prefix omg_ontology: .
@prefix omg_package: .
@prefix omg_periodoftime: .
@prefix omg_service: .
@prefix omg_vcard: .
@prefix ovo: .
@prefix owl: .
@prefix repo: .
@prefix rdf: .
@prefix rdfs: .
@prefix schema: .
@prefix sd: .
@prefix skos: .
@prefix spdx: .
@prefix ssd: .
@prefix tax_nodes: .
@prefix ts: .
@prefix vcard: .
@prefix void: .
@prefix wise: .
@prefix xkos: .
@prefix xsd: .
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skos:prefLabel "Chemische stoffen die in lucht gemeten worden."@nl.
collectie:water a skos:Collection;
skos:inScheme conceptscheme:chemische_stof;
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skos:prefLabel "Chemische stoffen die in water gemeten worden."@nl.
a skos:Concept;
skos:inScheme conceptscheme:chemische_stof;
skos:topConceptOf conceptscheme:chemische_stof.
chemische_stof:AAEVYOVXGOFMJO-UHFFFAOYSA-N dbo:casNumber "7287-19-6", "83653-07-0";
dbo:formula "C10H19N5S";
dbo:inchi "InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)";
dbo:iupacName "6-methylsulfanyl-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine"@en;
dbo:pubchem "4929"^^xsd:int;
dbo:smiles "CC(C)NC1=NC(=NC(=N1)SC)NC(C)C";
dbp:inchikey "AAEVYOVXGOFMJO-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:altLabel "prometryne"@nl;
skos:closeMatch wise:CAS_7287-19-6, chemische_stof:AAEVYOVXGOFMJO-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_7287-19-6, chemische_stof:AAEVYOVXGOFMJO-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_7287-19-6, chemische_stof:AAEVYOVXGOFMJO-UHFFFAOYSA-N;
skos:notation "promtne";
skos:prefLabel "prometryn"@nl;
skos:semanticRelation wise:CAS_7287-19-6, chemische_stof:AAEVYOVXGOFMJO-UHFFFAOYSA-N.
chemische_stof:AAOVKJBEBIDNHE-UHFFFAOYSA-N dbo:casNumber "11100-37-1", "439-14-5", "53320-84-6";
dbo:formula "C16H13ClN2O";
dbo:inchi "InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3";
dbo:iupacName "7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one"@en;
dbo:pubchem "3016"^^xsd:int;
dbo:smiles "CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3";
dbp:inchikey "AAOVKJBEBIDNHE-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "valium"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "valum";
skos:prefLabel "diazepam"@nl.
chemische_stof:AAPVQEMYVNZIOO-UHFFFAOYSA-N dbo:casNumber "1031-07-8", "6749-25-3", "87695-43-0";
dbo:formula "C9H6Cl6O4S";
dbo:inchi "InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2";
dbo:iupacName "1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda6-thiatricyclo[7.2.1.02,8]dodec-10-ene 5,5-dioxide"@en;
dbo:pubchem "13940"^^xsd:int;
dbo:smiles "C1C2C(COS(=O)(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "AAPVQEMYVNZIOO-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:closeMatch wise:CAS_1031-07-8, chemische_stof:AAPVQEMYVNZIOO-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_1031-07-8, chemische_stof:AAPVQEMYVNZIOO-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_1031-07-8, chemische_stof:AAPVQEMYVNZIOO-UHFFFAOYSA-N;
skos:notation "endsfSO4";
skos:prefLabel "endosulfansulfaat"@nl;
skos:semanticRelation wise:CAS_1031-07-8, chemische_stof:AAPVQEMYVNZIOO-UHFFFAOYSA-N.
chemische_stof:ABBKOIZWGCVCKE-UHFFFAOYSA-N dbo:casNumber "56046-17-4";
dbo:formula "C10H14N2O";
dbo:inchi "InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)";
dbo:iupacName "(4-propan-2-ylphenyl)urea"@en;
dbo:pubchem "185831"^^xsd:int;
dbo:smiles "CC(C)C1=CC=C(C=C1)NC(=O)N";
dbp:inchikey "ABBKOIZWGCVCKE-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "14iC3yFyurum";
skos:prefLabel "1-(4-isopropylfenyl)ureum"@nl.
chemische_stof:ABOOPXYCKNFDNJ-UHFFFAOYSA-N dbo:casNumber "76578-12-6", "95977-28-9";
dbo:formula "C17H13ClN2O4";
dbo:inchi "InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)";
dbo:iupacName "2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid"@en;
dbo:pubchem "178795"^^xsd:int;
dbo:smiles "CC(C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl";
dbp:inchikey "ABOOPXYCKNFDNJ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "quizlfp";
skos:prefLabel "quizalofop"@nl.
chemische_stof:ABOVRDBEJDIBMZ-UHFFFAOYSA-N dbo:casNumber "370-50-3";
dbo:formula "C15H8Cl2F6N2O";
dbo:inchi "InChI=1S/C15H8Cl2F6N2O/c16-11-3-1-7(5-9(11)14(18,19)20)24-13(26)25-8-2-4-12(17)10(6-8)15(21,22)23/h1-6H,(H2,24,25,26)";
dbo:iupacName "1,3-bis[4-chloro-3-(trifluoromethyl)phenyl]urea"@en;
dbo:pubchem "67788"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C(F)(F)F)Cl";
dbp:inchikey "ABOVRDBEJDIBMZ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "flucfrn";
skos:prefLabel "flucofuron"@nl.
chemische_stof:ACEKLXZRZOWKRY-UHFFFAOYSA-N dbo:casNumber "2706-91-4";
dbo:formula "C5HF11O3S";
dbo:inchi "InChI=1S/C5HF11O3S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19/h(H,17,18,19)";
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid"@en;
dbo:pubchem "75922"^^xsd:int;
dbo:smiles "C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F";
dbp:inchikey "ACEKLXZRZOWKRY-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "perfluor-1-pentaansulfonzuur"@nl, "perfluor-n-pentaansulfonzuur (pfpes)"@nl, "perfluor-n-pentaansulfonzuur"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "PFC5asfzr", "PFPeS";
skos:prefLabel "perfluorpentaansulfonzuur (pfpes)"@nl.
chemische_stof:ACGUYXCXAPNIKK-UHFFFAOYSA-N dbo:casNumber "139411-96-4", "70-30-4", "8054-98-6";
dbo:formula "C13H6Cl6O2";
dbo:inchi "InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2";
dbo:iupacName "3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol"@en;
dbo:pubchem "3598"^^xsd:int;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl";
dbp:inchikey "ACGUYXCXAPNIKK-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "HxClfn";
skos:prefLabel "hexachloorfeen"@nl.
chemische_stof:ACTOXUHEUCPTEW-JMRHEKERSA-N dbo:casNumber "8025-81-8";
dbo:formula "C43H74N2O14";
dbo:inchi "InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26?,27?,28?,29+,30?,31-,32+,34?,35?,36?,37?,38?,39+,40+,41?,42?,43?/m1/s1";
dbo:iupacName "['2-[(4R,5S,6S,7R,9R,10R,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-(5-dimethylamino-6-methyloxan-2-yl)oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde', '2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-(5-dimethylamino-6-methyloxan-2-yl)oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde']"@en;
dbo:pubchem "6419898"^^xsd:int;
dbo:smiles "CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C";
dbp:inchikey "ACTOXUHEUCPTEW-JMRHEKERSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "spiramycine (i+ii+iii)"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "spirmcne";
skos:prefLabel "spiramycine (I+II+III)"@nl.
chemische_stof:ACTOXUHEUCPTEW-KWBWCIJSSA-N dbo:casNumber "13430-00-7", "13441-34-4", "1403-57-2", "1405-25-0", "24916-50-5", "2517-38-6", "50762-61-3", "67262-35-5";
dbo:formula "C43H74N2O14";
dbo:inchi "InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26+,27-,28+,29+,30+,31-,32+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1";
dbo:iupacName "2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-dimethylamino-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde"@en;
dbo:pubchem "6440717"^^xsd:int;
dbo:smiles "CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C";
dbp:inchikey "ACTOXUHEUCPTEW-KWBWCIJSSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "spiramycine I"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "spirmcI";
skos:prefLabel "spiramycine i"@nl.
chemische_stof:ACTRVOBWPAIOHC-UHFFFAOYSA-N dbo:casNumber "2418-14-6", "304-55-2";
dbo:formula "C4H6O4S2";
dbo:inchi "InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)";
dbo:iupacName "2,3-bis-sulfanylbutanedioic acid"@en;
dbo:pubchem "9354"^^xsd:int;
dbo:smiles "C(C(C(=O)O)S)(C(=O)O)S";
dbp:inchikey "ACTRVOBWPAIOHC-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "succmr";
skos:prefLabel "succimer"@nl.
chemische_stof:ACWBQPMHZXGDFX-QFIPXVFZSA-N dbo:casNumber "137862-53-4";
dbo:formula "C24H29N5O3";
dbo:inchi "InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1";
dbo:iupacName "(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid"@en;
dbo:pubchem "60846"^^xsd:int;
dbo:smiles "CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O";
dbp:inchikey "ACWBQPMHZXGDFX-QFIPXVFZSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "valstan";
skos:prefLabel "valsartan"@nl.
chemische_stof:ADAKRBAJFHTIEW-UHFFFAOYSA-N dbo:casNumber "104-12-1";
dbo:formula "C7H4ClNO";
dbo:inchi "InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H";
dbo:iupacName "1-Chloro-4-isocyanatobenzene"@en;
dbo:pubchem "7693"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1N=C=O)Cl";
dbp:inchikey "ADAKRBAJFHTIEW-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "pClFyiCN";
skos:prefLabel "p-chloorfenylisocyanaat"@nl.
chemische_stof:ADFXKUOMJKEIND-UHFFFAOYSA-N dbo:casNumber "2387-23-7";
dbo:formula "C13H24N2O";
dbo:inchi "InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)";
dbo:iupacName "1,3-Dicyclohexylurea"@en;
dbo:pubchem "4277"^^xsd:int;
dbo:smiles "C1CCC(CC1)NC(=O)NC2CCCCC2";
dbp:inchikey "ADFXKUOMJKEIND-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "13DccC6yurum";
skos:prefLabel "1,3-dicyclohexylureum"@nl.
chemische_stof:ADIMAYPTOBDMTL-UHFFFAOYSA-N dbo:casNumber "35295-88-6", "604-75-1", "61036-43-9";
dbo:formula "C15H11ClN2O2";
dbo:inchi "InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)";
dbo:iupacName "7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one"@en;
dbo:pubchem "4616"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O";
dbp:inchikey "ADIMAYPTOBDMTL-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "oxzpm";
skos:prefLabel "oxazepam"@nl.
chemische_stof:ADPGKKZKGXANON-UHFFFAOYSA-N dbo:casNumber "10213-79-3", "12001-15-9", "1344-09-8";
dbo:formula "H10Na2O8Si";
dbo:inchi "InChI=1S/2Na.O3Si.5H2O/c;;1-4(2)3;;;;;/h;;;5*1H2/q2*+1;-2;;;;;";
dbo:iupacName "disodium dioxido-oxosilane pentahydrate"@en;
dbo:pubchem "61495"^^xsd:int;
dbo:smiles "O.O.O.O.O.[O-][Si](=O)[O-].[Na+].[Na+]";
dbp:inchikey "ADPGKKZKGXANON-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "NaSiO2";
skos:prefLabel "natriumsilicaat"@nl.
chemische_stof:AEHJMNVBLRLZKK-UHFFFAOYSA-N dbo:casNumber "179101-81-6";
dbo:formula "C18H14Cl4F3NO3";
dbo:inchi "InChI=1S/C18H14Cl4F3NO3/c19-13-8-12(27-7-4-15(21)22)9-14(20)17(13)29-6-1-5-28-16-3-2-11(10-26-16)18(23,24)25/h2-4,8-10H,1,5-7H2";
dbo:iupacName "2-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-5-(trifluoromethyl)pyridine"@en;
dbo:pubchem "11488729"^^xsd:int;
dbo:smiles "C1=CC(=NC=C1C(F)(F)F)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl";
dbp:inchikey "AEHJMNVBLRLZKK-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "pyrdll";
skos:prefLabel "pyridalyl"@nl.
chemische_stof:AEMFNILZOJDQLW-QAGGRKNESA-N dbo:casNumber "104534-78-3", "117598-81-9", "63-05-8";
dbo:formula "C19H26O2";
dbo:inchi "InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1";
dbo:iupacName "(8R,9S,10R,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione"@en;
dbo:pubchem "6128"^^xsd:int;
dbo:smiles "CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C";
dbp:inchikey "AEMFNILZOJDQLW-QAGGRKNESA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "andtdn";
skos:prefLabel "androsteendion"@nl.
chemische_stof:AERGGMDNGDDGPI-UHFFFAOYSA-N dbo:casNumber "20071-09-4";
dbo:formula "C16H16";
dbo:inchi "InChI=1S/C16H16/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2";
dbo:iupacName "(2-Phenylcyclobutyl)benzene"@en;
dbo:pubchem "140640"^^xsd:int;
dbo:smiles "C1CC(C1C2=CC=CC=C2)C3=CC=CC=C3";
dbp:inchikey "AERGGMDNGDDGPI-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "t12DFyccC4a";
skos:prefLabel "trans-1,2-difenylcyclobutaan"@nl.
chemische_stof:AEXMKKGTQYQZCS-UHFFFAOYSA-N dbo:casNumber "562-49-2";
dbo:formula "C7H16";
dbo:inchi "InChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3";
dbo:iupacName "3,3-Dimethylpentane"@en;
dbo:pubchem "11229"^^xsd:int;
dbo:smiles "CCC(C)(C)CC";
dbp:inchikey "AEXMKKGTQYQZCS-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "33DC1yC5a";
skos:prefLabel "3,3-dimethylpentaan"@nl.
chemische_stof:AFABGHUZZDYHJO-UHFFFAOYSA-N dbo:casNumber "107-83-5", "73513-42-5";
dbo:formula "C6H14";
dbo:inchi "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3";
dbo:iupacName "2-Methylpentane"@en;
dbo:pubchem "7892"^^xsd:int;
dbo:smiles "CCCC(C)C";
dbp:inchikey "AFABGHUZZDYHJO-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "2C1yC5a";
skos:prefLabel "2-methylpentaan"@nl.
chemische_stof:AFBPFSWMIHJQDM-UHFFFAOYSA-N dbo:casNumber "100-61-8";
dbo:formula "C7H9N";
dbo:inchi "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3";
dbo:iupacName "N-Methylaniline"@en;
dbo:pubchem "7515"^^xsd:int;
dbo:smiles "CNC1=CC=CC=C1";
dbp:inchikey "AFBPFSWMIHJQDM-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "C1yAn";
skos:prefLabel "methylaniline"@nl.
chemische_stof:AFCAKJKUYFLYFK-UHFFFAOYSA-N dbo:casNumber "1461-25-2";
dbo:formula "C16H36Sn";
dbo:inchi "InChI=1S/4C4H9.Sn/c4*1-3-4-2;/h4*1,3-4H2,2H3;";
dbo:iupacName "Tetrabutylstannane"@en;
dbo:pubchem "15098"^^xsd:int;
dbo:smiles "CCCC[Sn](CCCC)(CCCC)CCCC";
dbp:inchikey "AFCAKJKUYFLYFK-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:altLabel "tetrabutyltin (tebt)"@nl;
skos:closeMatch wise:CAS_1461-25-2, chemische_stof:AFCAKJKUYFLYFK-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_1461-25-2, chemische_stof:AFCAKJKUYFLYFK-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_1461-25-2, chemische_stof:AFCAKJKUYFLYFK-UHFFFAOYSA-N;
skos:notation "T4C4ySn";
skos:prefLabel "tetrabutyltin"@nl;
skos:semanticRelation wise:CAS_1461-25-2, chemische_stof:AFCAKJKUYFLYFK-UHFFFAOYSA-N.
chemische_stof:AFCCDDWKHLHPDF-UHFFFAOYSA-M dbo:casNumber "137-42-8", "144-54-7", "6734-80-1";
dbo:formula "C2H4NNaS2";
dbo:inchi "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1";
dbo:iupacName "sodium methylaminomethanedithioate"@en;
dbo:pubchem "8727"^^xsd:int;
dbo:smiles "CN=C(S)[S-].[Na+]";
dbp:inchikey "AFCCDDWKHLHPDF-UHFFFAOYSA-M";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "metNa";
skos:prefLabel "metham-natrium"@nl.
chemische_stof:AFDRCEOKCOUICI-UHFFFAOYSA-N dbo:casNumber "919005-14-4";
dbo:formula "C7H2F12O4";
dbo:inchi "InChI=1S/C7H2F12O4/c8-1(3(9,10)2(20)21)22-5(13,14)4(11,12)6(15,16)23-7(17,18)19/h1H,(H,20,21)";
dbo:iupacName "2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoic acid"@en;
dbo:pubchem "52915299"^^xsd:int;
dbo:smiles "C(C(C(=O)O)(F)F)(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F";
dbp:inchikey "AFDRCEOKCOUICI-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "ADONA";
skos:prefLabel "4,8-dioxa-3H-perfluornonaanzuur"@nl.
chemische_stof:AFFLGGQVNFXPEV-UHFFFAOYSA-N dbo:casNumber "105054-87-3", "108778-38-7", "25189-70-2", "68037-01-4", "872-05-9";
dbo:formula "C10H20";
dbo:inchi "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3";
dbo:iupacName "Dec-1-ene"@en;
dbo:pubchem "13381"^^xsd:int;
dbo:smiles "CCCCCCCCC=C";
dbp:inchikey "AFFLGGQVNFXPEV-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:comment "VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'"@nl;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "1C10e";
skos:prefLabel "1-deceen"@nl.
chemische_stof:AFIIBUOYKYSPKB-UHFFFAOYSA-N dbo:casNumber "4658-28-0";
dbo:formula "C7H11N7S";
dbo:inchi "InChI=1S/C7H11N7S/c1-4(2)9-5-10-6(13-14-8)12-7(11-5)15-3/h4H,1-3H3,(H,9,10,11,12)";
dbo:iupacName "4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine"@en;
dbo:pubchem "3032472"^^xsd:int;
dbo:smiles "CC(C)NC1=NC(=NC(=N1)SC)N=[N+]=[N-]";
dbp:inchikey "AFIIBUOYKYSPKB-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "azptn";
skos:prefLabel "aziprotryn"@nl.
chemische_stof:AFOVBPMGZPJPKX-UHFFFAOYSA-N dbo:casNumber "85-07-4";
dbo:formula "C13H13NO";
dbo:inchi "InChI=1S/C13H13NO/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13(14)15/h2-7H,8H2,1H3,(H2,14,15)";
dbo:iupacName "2-(2-methylnaphthalen-1-yl)acetamide"@en;
dbo:pubchem "66550"^^xsd:int;
dbo:smiles "CC1=C(C2=CC=CC=C2C=C1)CC(=O)N";
dbp:inchikey "AFOVBPMGZPJPKX-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "C1yntacAd";
skos:prefLabel "methylnaftylaceetamide"@nl.
chemische_stof:AFTSHZRGGNMLHC-UHFFFAOYSA-N dbo:casNumber "812-04-4";
dbo:formula "C2HCl2F3";
dbo:inchi "InChI=1S/C2HCl2F3/c3-2(4,7)1(5)6/h1H";
dbo:iupacName "1,1-Dichloro-1,2,2-trifluoroethane"@en;
dbo:pubchem "13132"^^xsd:int;
dbo:smiles "C(C(F)(Cl)Cl)(F)F";
dbp:inchikey "AFTSHZRGGNMLHC-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "HCFK123b";
skos:prefLabel "1,1-dichloor-1,2,2-trifluorethaan"@nl.
chemische_stof:AFWOYEYXUDHGHF-UHFFFAOYSA-N dbo:casNumber "678-41-1";
dbo:formula "C20H9F34O4P";
dbo:inchi "InChI=1S/C20H9F34O4P/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57-59(55,56)58-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2,(H,55,56)";
dbo:iupacName "Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen phosphate"@en;
dbo:pubchem "3022253"^^xsd:int;
dbo:smiles "C(COP(=O)(O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F";
dbp:inchikey "AFWOYEYXUDHGHF-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "8:2 fluortelomeerfosfaat diester"@nl, "bisperfluordecylwaterstoffosfaat (8:2 diPAP)"@nl, "bisperfluordecylwaterstoffosfaat (8:2 dipap)"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "8:2 diPAP", "bisPFC10yPO4";
skos:prefLabel "8:2 fluortelomeerfosfaat diester (8:2 dipap)"@nl.
chemische_stof:AFYPFACVUDMOHA-UHFFFAOYSA-N dbo:casNumber "185009-43-2", "75-72-9";
dbo:formula "CClF3";
dbo:inchi "InChI=1S/CClF3/c2-1(3,4)5";
dbo:iupacName "chloro-trifluoromethane"@en;
dbo:pubchem "6392"^^xsd:int;
dbo:smiles "C(F)(F)(F)Cl";
dbp:inchikey "AFYPFACVUDMOHA-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "CFK13";
skos:prefLabel "chloortrifluormethaan"@nl.
chemische_stof:AFZSMODLJJCVPP-UHFFFAOYSA-N dbo:casNumber "109767-80-8", "120-78-5";
dbo:formula "C14H8N2S4";
dbo:inchi "InChI=1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H";
dbo:iupacName "2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole"@en;
dbo:pubchem "8447"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3";
dbp:inchikey "AFZSMODLJJCVPP-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "22DbztazDS";
skos:prefLabel "2,2-dibenzothiazyldisulfide"@nl.
chemische_stof:AFZZYIJIWUTJFO-UHFFFAOYSA-N dbo:casNumber "141-93-5", "68584-01-0";
dbo:formula "C10H14";
dbo:inchi "InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3";
dbo:iupacName "1,3-Diethylbenzene"@en;
dbo:pubchem "8864"^^xsd:int;
dbo:smiles "CCC1=CC(=CC=C1)CC";
dbp:inchikey "AFZZYIJIWUTJFO-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "13DC2yBen";
skos:prefLabel "1,3-diethylbenzeen"@nl.
chemische_stof:AGIMOOYNBDLMJV-UHFFFAOYSA-N dbo:casNumber "377-73-1";
dbo:formula "C4HF7O3";
dbo:inchi "InChI=1S/C4HF7O3/c5-2(6,1(12)13)3(7,8)14-4(9,10)11/h(H,12,13)";
dbo:iupacName "2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoic acid"@en;
dbo:pubchem "120228"^^xsd:int;
dbo:smiles "C(=O)(C(C(OC(F)(F)F)(F)F)(F)F)O";
dbp:inchikey "AGIMOOYNBDLMJV-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "PFMOPrA";
skos:prefLabel "perfluor-3-methoxypropaanzuur"@nl.
chemische_stof:AGKSTYPVMZODRV-UHFFFAOYSA-N dbo:casNumber "86598-92-7";
dbo:formula "C17H13Cl3N4S";
dbo:inchi "InChI=1S/C17H13Cl3N4S/c18-13-3-1-12(2-4-13)9-25-17(8-24-11-21-10-22-24)23-16-6-5-14(19)7-15(16)20/h1-7,10-11H,8-9H2";
dbo:iupacName "1-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimine"@en;
dbo:pubchem "93483"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1CSC(=NC2=C(C=C(C=C2)Cl)Cl)CN3C=NC=N3)Cl";
dbp:inchikey "AGKSTYPVMZODRV-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "imbcnzl";
skos:prefLabel "imibenconazool"@nl.
chemische_stof:AGOYDEPGAOXOCK-KCBOHYOISA-N dbo:casNumber "116836-41-0", "81103-11-9";
dbo:formula "C38H69NO13";
dbo:inchi "InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1";
dbo:iupacName "(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione"@en;
dbo:pubchem "84029"^^xsd:int;
dbo:smiles "CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O";
dbp:inchikey "AGOYDEPGAOXOCK-KCBOHYOISA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:closeMatch wise:CAS_81103-11-9, chemische_stof:AGOYDEPGAOXOCK-KCBOHYOISA-N;
skos:exactMatch wise:CAS_81103-11-9, chemische_stof:AGOYDEPGAOXOCK-KCBOHYOISA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_81103-11-9, chemische_stof:AGOYDEPGAOXOCK-KCBOHYOISA-N;
skos:notation "clartmcne";
skos:prefLabel "claritromycine"@nl;
skos:semanticRelation wise:CAS_81103-11-9, chemische_stof:AGOYDEPGAOXOCK-KCBOHYOISA-N.
chemische_stof:AGUIVNYEYSCPNI-UHFFFAOYSA-N dbo:casNumber "479-45-8";
dbo:formula "C7H5N5O8";
dbo:inchi "InChI=1S/C7H5N5O8/c1-8(12(19)20)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18/h2-3H,1H3";
dbo:iupacName "N-methyl-N-(2,4,6-trinitrophenyl)nitramide"@en;
dbo:pubchem "10178"^^xsd:int;
dbo:smiles "CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]";
dbp:inchikey "AGUIVNYEYSCPNI-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "tetryl (CE)"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "tetl";
skos:prefLabel "tetryl (ce)"@nl.
chemische_stof:AHANXAKGNAKFSK-IUQGRGSQSA-N dbo:casNumber "2091-27-2";
dbo:formula "C20H34O2";
dbo:inchi "InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3+,7-6+,10-9+";
dbo:iupacName "['(11E,14E,17E)-icosa-11,14,17-trienoic acid', 'icosa-11,14,17-trienoic acid']"@en;
dbo:pubchem "5282827"^^xsd:int;
dbo:smiles "CCC=CCC=CCC=CCCCCCCCCCC(=O)O";
dbp:inchikey "AHANXAKGNAKFSK-IUQGRGSQSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "c111417C20aT";
skos:prefLabel "cis-11,14,17-eicosatrieenzuur"@nl.
chemische_stof:AHJKRLASYNVKDZ-UHFFFAOYSA-N dbo:casNumber "72-54-8";
dbo:formula "C14H10Cl4";
dbo:inchi "InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H";
dbo:iupacName "1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene"@en;
dbo:pubchem "6294"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl";
dbp:inchikey "AHJKRLASYNVKDZ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:altLabel "4,4'-dichloordifenyldichloorethaan"@nl, "pp'dichloordifenyldichloorethaan"@nl;
skos:closeMatch wise:CAS_72-54-8, chemische_stof:AHJKRLASYNVKDZ-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_72-54-8, chemische_stof:AHJKRLASYNVKDZ-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_72-54-8, chemische_stof:AHJKRLASYNVKDZ-UHFFFAOYSA-N;
skos:notation "44DDD";
skos:prefLabel "p,p’-ddd"@nl;
skos:semanticRelation wise:CAS_72-54-8, chemische_stof:AHJKRLASYNVKDZ-UHFFFAOYSA-N.
chemische_stof:AHOUBRCZNHFOSL-YOEHRIQHSA-N dbo:casNumber "110429-35-1", "61869-08-7", "63952-24-9";
dbo:formula "C19H20FNO3";
dbo:inchi "InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1";
dbo:iupacName "(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine"@en;
dbo:pubchem "43815"^^xsd:int;
dbo:smiles "C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4";
dbp:inchikey "AHOUBRCZNHFOSL-YOEHRIQHSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "paroetne";
skos:prefLabel "paroxetine"@nl.
chemische_stof:AHTPATJNIAFOLR-UHFFFAOYSA-N dbo:casNumber "79277-27-3";
dbo:formula "C12H13N5O6S2";
dbo:inchi "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)";
dbo:iupacName "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate"@en;
dbo:pubchem "73674"^^xsd:int;
dbo:smiles "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC";
dbp:inchikey "AHTPATJNIAFOLR-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "thifsfrnC1y";
skos:prefLabel "thifensulfuron-methyl"@nl.
chemische_stof:AHUWMUAVZFJTOC-HNQUOIGGSA-N dbo:casNumber "3737-00-6";
dbo:formula "C3H4BrCl";
dbo:inchi "InChI=1S/C3H4BrCl/c4-2-1-3-5/h1,3H,2H2/b3-1+";
dbo:iupacName "(E)-3-bromo-1-chloroprop-1-ene"@en;
dbo:pubchem "6433386"^^xsd:int;
dbo:smiles "C(C=CCl)Br";
dbp:inchikey "AHUWMUAVZFJTOC-HNQUOIGGSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "3Br1ClC3e";
skos:prefLabel "3-broom-1-chloorpropeen"@nl.
chemische_stof:AIGRXSNSLVJMEA-UHFFFAOYSA-N dbo:casNumber "2104-64-5", "65580-79-2", "65580-80-5";
dbo:formula "C14H14NO4PS";
dbo:inchi "InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3";
dbo:iupacName "ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidenephosphorane"@en;
dbo:pubchem "16421"^^xsd:int;
dbo:smiles "CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]";
dbp:inchikey "AIGRXSNSLVJMEA-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "EPN";
skos:prefLabel "ethyl-p-nitrofenylthiobenzeenfosfonaat"@nl.
chemische_stof:AIKKULXCBHRFOS-UHFFFAOYSA-N dbo:casNumber "2540-82-1";
dbo:formula "C6H12NO4PS2";
dbo:inchi "InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3";
dbo:iupacName "2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-methylacetamide"@en;
dbo:pubchem "17345"^^xsd:int;
dbo:smiles "CN(C=O)C(=O)CSP(=S)(OC)OC";
dbp:inchikey "AIKKULXCBHRFOS-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "formton";
skos:prefLabel "formothion"@nl.
chemische_stof:AJAKLDUGVSKVDG-UHFFFAOYSA-N dbo:casNumber "645-72-7";
dbo:formula "C20H42O";
dbo:inchi "InChI=1S/C20H42O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3";
dbo:iupacName "3,7,11,15-Tetramethylhexadecan-1-ol"@en;
dbo:pubchem "102459"^^xsd:int;
dbo:smiles "CC(C)CCCC(C)CCCC(C)CCCC(C)CCO";
dbp:inchikey "AJAKLDUGVSKVDG-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "371115T4C1y1";
skos:prefLabel "3,7,11,15-tetramethyl-1hexadecanol"@nl.
chemische_stof:AJDIZQLSFPQPEY-UHFFFAOYSA-N dbo:casNumber "39349-94-5", "56996-61-3", "57762-34-2", "59948-56-0", "76-13-1";
dbo:formula "C2Cl3F3";
dbo:inchi "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8";
dbo:iupacName "1,1,2-Trichloro-1,2,2-trifluoroethane"@en;
dbo:pubchem "6428"^^xsd:int;
dbo:smiles "C(C(F)(Cl)Cl)(F)(F)Cl";
dbp:inchikey "AJDIZQLSFPQPEY-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:altLabel "1,1,2-trichloor-1,2,2-trifluorethaan"@nl, "1,1,2-trichloortrifluor-ethaan"@nl;
skos:closeMatch wise:CAS_76-13-1, chemische_stof:AJDIZQLSFPQPEY-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_76-13-1, chemische_stof:AJDIZQLSFPQPEY-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_76-13-1, chemische_stof:AJDIZQLSFPQPEY-UHFFFAOYSA-N;
skos:notation "CFK113";
skos:prefLabel "1,1,2-trichloortrifluorethaan"@nl;
skos:semanticRelation wise:CAS_76-13-1, chemische_stof:AJDIZQLSFPQPEY-UHFFFAOYSA-N.
chemische_stof:AJMAYLFJZQYRHN-UHFFFAOYSA-N dbo:casNumber "120226-60-0";
dbo:formula "C12H5F21O3S";
dbo:inchi "InChI=1S/C12H5F21O3S/c13-3(14,1-2-37(34,35)36)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2,(H,34,35,36)";
dbo:iupacName "3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecane-1-sulfonic acid"@en;
dbo:pubchem "23136180"^^xsd:int;
dbo:smiles "C(CS(=O)(=O)O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F";
dbp:inchikey "AJMAYLFJZQYRHN-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "10:2 FTS";
skos:prefLabel "10:2 fluortelomeersulfonzuur"@nl.
chemische_stof:AJRJPORIQGYFMT-PVOVUMCXSA-N dbo:casNumber "30223-73-5", "57195-65-0";
dbo:formula "C20H23N";
dbo:inchi "InChI=1S/C20H23N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-14,16H,15H2,1-3H3/b19-4-";
dbo:iupacName "(2Z)-2-ethylidene-1,5-dimethyl-3,3-di(phenyl)pyrrolidine"@en;
dbo:pubchem "5378015"^^xsd:int;
dbo:smiles "CC=C1C(CC(N1C)C)(C2=CC=CC=C2)C3=CC=CC=C3";
dbp:inchikey "AJRJPORIQGYFMT-PVOVUMCXSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "2C2yid15DC1y";
skos:prefLabel "2-ethylidene-1,5-dimethyl-3,3-difenylpyrrolidine"@nl.
chemische_stof:AJYPYWFCUWHZMZ-UHFFFAOYSA-M dbo:casNumber "10066-90-7", "129396-21-0", "32113-41-0";
dbo:formula "C8H8KNO5S";
dbo:inchi "InChI=1S/C8H9NO5S.K/c1-6(10)9-7-2-4-8(5-3-7)14-15(11,12)13;/h2-5H,1H3,(H,9,10)(H,11,12,13);/q;+1/p-1";
dbo:iupacName "potassium (4-acetamidophenyl) sulfate"@en;
dbo:pubchem "6365369"^^xsd:int;
dbo:smiles "CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)[O-].[K+]";
dbp:inchikey "AJYPYWFCUWHZMZ-UHFFFAOYSA-M";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "actmnpSO4Esr";
skos:prefLabel "acetaminophen sulfaatester"@nl.
chemische_stof:AKCRQHGQIJBRMN-UHFFFAOYSA-N dbo:casNumber "27134-26-5", "95-51-2";
dbo:formula "C6H6ClN";
dbo:inchi "InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2";
dbo:iupacName "2-Chloroaniline"@en;
dbo:pubchem "7240"^^xsd:int;
dbo:smiles "C1=CC=C(C(=C1)N)Cl";
dbp:inchikey "AKCRQHGQIJBRMN-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:altLabel "2-chlooraniline"@nl;
skos:closeMatch wise:CAS_95-51-2, chemische_stof:AKCRQHGQIJBRMN-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_95-51-2, chemische_stof:AKCRQHGQIJBRMN-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_95-51-2, chemische_stof:AKCRQHGQIJBRMN-UHFFFAOYSA-N;
skos:notation "2ClAn";
skos:prefLabel "o-chlooraniline"@nl;
skos:semanticRelation wise:CAS_95-51-2, chemische_stof:AKCRQHGQIJBRMN-UHFFFAOYSA-N.
chemische_stof:AKEJUJNQAAGONA-UHFFFAOYSA-N dbo:casNumber "12210-38-7", "7446-11-9";
dbo:formula "O3S";
dbo:inchi "InChI=1S/O3S/c1-4(2)3";
dbo:iupacName "SULFUR TRIOXIDE"@en;
dbo:pubchem "24682"^^xsd:int;
dbo:smiles "O=S(=O)=O";
dbp:inchikey "AKEJUJNQAAGONA-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:comment "VLAR II Art. 5.7.2.3 'gasvormig zwaveldioxide en zwaveltrioxide, met inbegrip van zuurdruppels berekend als SO2-equivalent'"@nl, "VLAR II Art. 5.7.3.1 'zwaveltrioxide'"@nl, "VLAR III (D3, diverse art) 'SO3'"@nl;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "SO3";
skos:prefLabel "zwaveltrioxide"@nl.
chemische_stof:AKLOLDQYWQAREW-UHFFFAOYSA-N dbo:casNumber "577-71-9";
dbo:formula "C6H4N2O5";
dbo:inchi "InChI=1S/C6H4N2O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H";
dbo:iupacName "3,4-DINITROPHENOL"@en;
dbo:pubchem "11348"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1O)[N+](=O)[O-])[N+](=O)[O-]";
dbp:inchikey "AKLOLDQYWQAREW-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "34DNO2Fol";
skos:prefLabel "3,4-dinitrofenol"@nl.
chemische_stof:AKNQMEBLVAMSNZ-UHFFFAOYSA-N dbo:casNumber "60207-31-0";
dbo:formula "C12H11Cl2N3O2";
dbo:inchi "InChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2";
dbo:iupacName "1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole"@en;
dbo:pubchem "43233"^^xsd:int;
dbo:smiles "C1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl";
dbp:inchikey "AKNQMEBLVAMSNZ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "azacnzl";
skos:prefLabel "azaconazool"@nl.
chemische_stof:AKPLHCDWDRPJGD-UHFFFAOYSA-N dbo:casNumber "1088-11-5";
dbo:formula "C15H11ClN2O";
dbo:inchi "InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)";
dbo:iupacName "7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one"@en;
dbo:pubchem "2997"^^xsd:int;
dbo:smiles "C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3";
dbp:inchikey "AKPLHCDWDRPJGD-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "desC1yDazpm";
skos:prefLabel "desmethyldiazepam"@nl.
chemische_stof:ALDJIKXAHSDLLB-UHFFFAOYSA-N dbo:casNumber "41464-39-5", "70362-46-8";
dbo:formula "C12H6Cl4";
dbo:inchi "InChI=1S/C12H6Cl4/c13-7-4-5-10(14)9(6-7)8-2-1-3-11(15)12(8)16/h1-6H";
dbo:iupacName "1,2-dichloro-3-(2,5-dichlorophenyl)benzene"@en;
dbo:pubchem "38875"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=CC(=C2)Cl)Cl";
dbp:inchikey "ALDJIKXAHSDLLB-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "PCB44";
skos:prefLabel "2,2',3,5'-tetrachloorbifenyl"@nl.
chemische_stof:ALEROMXYYSQFLX-UHFFFAOYSA-N dbo:casNumber "146-50-9", "68515-50-4", "71850-09-4";
dbo:formula "C20H30O4";
dbo:inchi "InChI=1S/C20H30O4/c1-15(2)9-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-14-8-10-16(3)4/h5-6,11-12,15-16H,7-10,13-14H2,1-4H3";
dbo:iupacName "bis(4-methylpentyl) benzene-1,2-dicarboxylate"@en;
dbo:pubchem "8970"^^xsd:int;
dbo:smiles "CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OCCCC(C)C";
dbp:inchikey "ALEROMXYYSQFLX-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "di-isohexylftalaat (mix van isomeren)"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:prefLabel "di-isohexylftalaat"@nl.
chemische_stof:ALRLPDGCPYIVHP-UHFFFAOYSA-N dbo:casNumber "5522-43-0", "63021-86-3";
dbo:formula "C16H9NO2";
dbo:inchi "InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H";
dbo:iupacName "1-Nitropyrene"@en;
dbo:pubchem "21694"^^xsd:int;
dbo:smiles "C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)[N+](=O)[O-]";
dbp:inchikey "ALRLPDGCPYIVHP-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "1NO2Pyr";
skos:prefLabel "1-nitropyreen"@nl.
chemische_stof:ALVYVCQIFHTIRD-UHFFFAOYSA-N dbo:casNumber "39108-34-4";
dbo:formula "C10H5F17O3S";
dbo:inchi "InChI=1S/C10H5F17O3S/c11-3(12,1-2-31(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H,28,29,30)";
dbo:iupacName "3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonic acid"@en;
dbo:pubchem "3016044"^^xsd:int;
dbo:smiles "C(CS(=O)(=O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F";
dbp:inchikey "ALVYVCQIFHTIRD-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "8:2 fluortelomeersulfonzuur (8:2 fts)"@nl, "8:2 fluortelomeersulfonzuur"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "8:2 FTS", "H-PFC10asfzr";
skos:prefLabel "2-(perfluoroctyl)ethaan-1-sulfonzuur (8:2 FTS)"@nl.
chemische_stof:ALZOLUNSQWINIR-UHFFFAOYSA-N dbo:casNumber "90717-03-6";
dbo:formula "C11H8ClNO2";
dbo:inchi "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)";
dbo:iupacName "7-Chloro-3-methylquinoline-8-carboxylic acid"@en;
dbo:pubchem "91749"^^xsd:int;
dbo:smiles "CC1=CC2=C(C(=C(C=C2)Cl)C(=O)O)N=C1";
dbp:inchikey "ALZOLUNSQWINIR-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "quinmrc";
skos:prefLabel "quinmerac"@nl.
chemische_stof:AMCOFRYQNUYHDX-UHFFFAOYSA-N dbo:casNumber "41766-75-0";
dbo:formula "C14H18F2N2";
dbo:inchi "InChI=1S/C14H16N2.2FH/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;;/h3-8H,15-16H2,1-2H3;2*1H";
dbo:iupacName "4-(4-amino-3-methylphenyl)-2-methylaniline dihydrofluoride"@en;
dbo:pubchem "61994"^^xsd:int;
dbo:smiles "CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.F.F";
dbp:inchikey "AMCOFRYQNUYHDX-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "33DC1ybzdnDH";
skos:prefLabel "3,3'-dimethylbenzidine dihydrofluoride"@nl.
chemische_stof:AMEKQAFGQBKLKX-UHFFFAOYSA-N dbo:casNumber "5259-88-1";
dbo:formula "C12H13NO4S";
dbo:inchi "InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)";
dbo:iupacName "2-methyl-4,4-dioxo-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide"@en;
dbo:pubchem "21330"^^xsd:int;
dbo:smiles "CC1=C(S(=O)(=O)CCO1)C(=O)NC2=CC=CC=C2";
dbp:inchikey "AMEKQAFGQBKLKX-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "OxcbOxn";
skos:prefLabel "oxycarboxin"@nl.
chemische_stof:AMFGTOFWMRQMEM-UHFFFAOYSA-N dbo:casNumber "24017-47-8";
dbo:formula "C12H16N3O3PS";
dbo:inchi "InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3";
dbo:iupacName "diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidenephosphorane"@en;
dbo:pubchem "32184"^^xsd:int;
dbo:smiles "CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2";
dbp:inchikey "AMFGTOFWMRQMEM-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:altLabel "triazophos"@nl;
skos:closeMatch wise:CAS_24017-47-8, chemische_stof:AMFGTOFWMRQMEM-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_24017-47-8, chemische_stof:AMFGTOFWMRQMEM-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_24017-47-8, chemische_stof:AMFGTOFWMRQMEM-UHFFFAOYSA-N;
skos:notation "Tazfs";
skos:prefLabel "triazofos"@nl;
skos:semanticRelation wise:CAS_24017-47-8, chemische_stof:AMFGTOFWMRQMEM-UHFFFAOYSA-N.
chemische_stof:AMHNZOICSMBGDH-UHFFFAOYSA-L dbo:casNumber "12122-67-7", "9006-42-2";
dbo:formula "C4H6N2S4Zn";
dbo:inchi "InChI=1S/C4H8N2S4.Zn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2";
dbo:iupacName "zinc [2-(sulfidocarbothioylamino)ethylamino]methanedithioate"@en;
dbo:pubchem "8873"^^xsd:int;
dbo:smiles "C(CN=C(S)[S-])N=C(S)[S-].[Zn+2]";
dbp:inchikey "AMHNZOICSMBGDH-UHFFFAOYSA-L";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "zineb"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "metrm", "zinb";
skos:prefLabel "metiram"@nl.
chemische_stof:AMIMRNSIRUDHCM-UHFFFAOYSA-N dbo:casNumber "26140-46-5", "78-84-2";
dbo:formula "C4H8O";
dbo:inchi "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3";
dbo:iupacName "2-Methylpropanal"@en;
dbo:pubchem "6561"^^xsd:int;
dbo:smiles "CC(C)C=O";
dbp:inchikey "AMIMRNSIRUDHCM-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "2C1y1C3al";
skos:prefLabel "2-methyl-1-propanal"@nl.
chemische_stof:AMQJEAYHLZJPGS-UHFFFAOYSA-N dbo:casNumber "71-41-0";
dbo:formula "C5H12O";
dbo:inchi "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3";
dbo:iupacName "Pentan-1-ol"@en;
dbo:pubchem "6276"^^xsd:int;
dbo:smiles "CCCCCO";
dbp:inchikey "AMQJEAYHLZJPGS-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "C5ol";
skos:prefLabel "pentanol"@nl.
chemische_stof:AMRQXHFXNZFDCH-VIFPVBQESA-N dbo:casNumber "16118-49-3";
dbo:formula "C12H16N2O3";
dbo:inchi "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1";
dbo:iupacName "[(2S)-1-ethylamino-1-oxopropan-2-yl] N-phenylcarbamate"@en;
dbo:pubchem "443067"^^xsd:int;
dbo:smiles "CCNC(=O)C(C)OC(=O)NC1=CC=CC=C1";
dbp:inchikey "AMRQXHFXNZFDCH-VIFPVBQESA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:closeMatch wise:CAS_16118-49-3, chemische_stof:AMRQXHFXNZFDCH-VIFPVBQESA-N;
skos:exactMatch wise:CAS_16118-49-3, chemische_stof:AMRQXHFXNZFDCH-VIFPVBQESA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_16118-49-3, chemische_stof:AMRQXHFXNZFDCH-VIFPVBQESA-N;
skos:notation "carbtAd";
skos:prefLabel "carbetamide"@nl;
skos:semanticRelation wise:CAS_16118-49-3, chemische_stof:AMRQXHFXNZFDCH-VIFPVBQESA-N.
chemische_stof:AMSPWOYQQAWRRM-UHFFFAOYSA-N dbo:casNumber "220899-03-6";
dbo:formula "C19H21BrO5";
dbo:inchi "InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3";
dbo:iupacName "(3-bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone"@en;
dbo:pubchem "6451057"^^xsd:int;
dbo:smiles "CC1=CC(=C(C(=C1C(=O)C2=C(C=CC(=C2C)Br)OC)OC)OC)OC";
dbp:inchikey "AMSPWOYQQAWRRM-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "metfnn";
skos:prefLabel "metrafenon"@nl.
chemische_stof:AMVYOVYGIJXTQB-UHFFFAOYSA-N dbo:casNumber "14214-32-5";
dbo:formula "C16H18N2O3";
dbo:inchi "InChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19)";
dbo:iupacName "3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea"@en;
dbo:pubchem "26576"^^xsd:int;
dbo:smiles "CN(C)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)OC";
dbp:inchikey "AMVYOVYGIJXTQB-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "Dfnxrn";
skos:prefLabel "difenoxuron"@nl.
chemische_stof:ANIAQSUBRGXWLS-UHFFFAOYSA-N dbo:casNumber "327-98-0";
dbo:formula "C10H12Cl3O2PS";
dbo:inchi "InChI=1S/C10H12Cl3O2PS/c1-3-14-16(17,4-2)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3";
dbo:iupacName "ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)phosphorane"@en;
dbo:pubchem "9477"^^xsd:int;
dbo:smiles "CCOP(=S)(CC)OC1=CC(=C(C=C1Cl)Cl)Cl";
dbp:inchikey "ANIAQSUBRGXWLS-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "TClnt";
skos:prefLabel "trichloronaat"@nl.
chemische_stof:ANUCHZVCBDOPOX-UHFFFAOYSA-N dbo:casNumber "224-42-0";
dbo:formula "C21H13N";
dbo:inchi "InChI=1S/C21H13N/c1-3-7-16-14(5-1)9-11-20-18(16)13-19-17-8-4-2-6-15(17)10-12-21(19)22-20/h1-13H";
dbo:iupacName "13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene"@en;
dbo:pubchem "9177"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=NC4=C(C=C32)C5=CC=CC=C5C=C4";
dbp:inchikey "ANUCHZVCBDOPOX-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "Dbenzajacdne";
skos:prefLabel "dibenz(a,j)acridine"@nl.
chemische_stof:AOJJSUZBOXZQNB-TZSSRYMLSA-N dbo:casNumber "23214-92-8", "23257-17-2", "24385-08-8", "25311-50-6", "29042-30-6";
dbo:formula "C27H29NO11";
dbo:inchi "InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1";
dbo:iupacName "(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione"@en;
dbo:pubchem "31703"^^xsd:int;
dbo:smiles "CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O";
dbp:inchikey "AOJJSUZBOXZQNB-TZSSRYMLSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "doxrbcne";
skos:prefLabel "doxorubicine"@nl.
chemische_stof:AOMUHOFOVNGZAN-UHFFFAOYSA-N dbo:casNumber "120-40-1", "15517-64-3", "39341-48-5", "72968-36-6", "83452-99-7", "83590-20-9", "92680-75-6";
dbo:formula "C16H33NO3";
dbo:inchi "InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3";
dbo:iupacName "N,N-Bis(2-hydroxyethyl)dodecanamide"@en;
dbo:pubchem "8430"^^xsd:int;
dbo:smiles "CCCCCCCCCCCC(=O)N(CCO)CCO";
dbp:inchikey "AOMUHOFOVNGZAN-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "dodecaanamide n,n-bis2-hydroxyethyl"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "C12aAdNNb2Ho";
skos:prefLabel "dodecaanamide N,N-bis2-hydroxyethyl"@nl.
chemische_stof:APFVFJFRJDLVQX-AHCXROLUSA-N dbo:casNumber "15750-15-9";
dbo:formula "In";
dbo:inchi "InChI=1S/In/i1-4";
dbo:iupacName "indium-111"@en;
dbo:pubchem "5462099"^^xsd:int;
dbo:smiles "[In]";
dbp:inchikey "APFVFJFRJDLVQX-AHCXROLUSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "In111";
skos:prefLabel "indium 111"@nl.
chemische_stof:APFVFJFRJDLVQX-UHFFFAOYSA-N dbo:casNumber "7440-74-6";
dbo:formula "In";
dbo:inchi "InChI=1S/In";
dbo:iupacName "INDIUM"@en;
dbo:pubchem "5359967"^^xsd:int;
dbo:smiles "[In]";
dbp:inchikey "APFVFJFRJDLVQX-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "In";
skos:prefLabel "indium"@nl.
chemische_stof:APQIUTYORBAGEZ-UHFFFAOYSA-N dbo:casNumber "25620-62-6", "557-91-5";
dbo:formula "C2H4Br2";
dbo:inchi "InChI=1S/C2H4Br2/c1-2(3)4/h2H,1H3";
dbo:iupacName "1,1-DIBROMOETHANE"@en;
dbo:pubchem "11201"^^xsd:int;
dbo:smiles "CC(Br)Br";
dbp:inchikey "APQIUTYORBAGEZ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "11DBrC2a";
skos:prefLabel "1,1-dibroomethaan"@nl.
chemische_stof:APQSQLNWAIULLK-UHFFFAOYSA-N dbo:casNumber "571-58-4";
dbo:formula "C12H12";
dbo:inchi "InChI=1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3";
dbo:iupacName "1,4-Dimethylnaphthalene"@en;
dbo:pubchem "11304"^^xsd:int;
dbo:smiles "CC1=CC=C(C2=CC=CC=C12)C";
dbp:inchikey "APQSQLNWAIULLK-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "14DC1yNaf";
skos:prefLabel "1,4-dimethylnaftaleen"@nl.
chemische_stof:APTZNLHMIGJTEW-UHFFFAOYSA-N dbo:casNumber "129630-19-9";
dbo:formula "C15H13Cl2F3N2O4";
dbo:inchi "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3";
dbo:iupacName "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate"@en;
dbo:pubchem "182951"^^xsd:int;
dbo:smiles "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl";
dbp:inchikey "APTZNLHMIGJTEW-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "pyrffnC2y";
skos:prefLabel "pyraflufen-ethyl"@nl.
chemische_stof:AQHHHDLHHXJYJD-UHFFFAOYSA-N dbo:casNumber "13013-17-7", "525-66-6";
dbo:formula "C16H21NO2";
dbo:inchi "InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3";
dbo:iupacName "1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol"@en;
dbo:pubchem "4946"^^xsd:int;
dbo:smiles "CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O";
dbp:inchikey "AQHHHDLHHXJYJD-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:altLabel "propranolol"@nl;
skos:closeMatch wise:CAS_525-66-6, chemische_stof:AQHHHDLHHXJYJD-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_525-66-6, chemische_stof:AQHHHDLHHXJYJD-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_525-66-6, chemische_stof:AQHHHDLHHXJYJD-UHFFFAOYSA-N;
skos:notation "propnll";
skos:prefLabel "propanolol"@nl;
skos:semanticRelation wise:CAS_525-66-6, chemische_stof:AQHHHDLHHXJYJD-UHFFFAOYSA-N.
chemische_stof:AQIHMSVIAGNIDM-UHFFFAOYSA-N dbo:casNumber "618-32-6";
dbo:formula "C7H5BrO";
dbo:inchi "InChI=1S/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5H";
dbo:iupacName "BENZOYL BROMIDE"@en;
dbo:pubchem "12056"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)C(=O)Br";
dbp:inchikey "AQIHMSVIAGNIDM-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "benzyBr";
skos:prefLabel "benzoylbromide"@nl.
chemische_stof:AQIXEPGDORPWBJ-UHFFFAOYSA-N dbo:casNumber "584-02-1";
dbo:formula "C5H12O";
dbo:inchi "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3";
dbo:iupacName "Pentan-3-ol"@en;
dbo:pubchem "11428"^^xsd:int;
dbo:smiles "CCC(CC)O";
dbp:inchikey "AQIXEPGDORPWBJ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "3C5ol";
skos:prefLabel "3-pentanol"@nl.
chemische_stof:AQPHBYQUCKHJLT-UHFFFAOYSA-N dbo:casNumber "13654-09-6", "39282-95-6";
dbo:formula "C12Br10";
dbo:inchi "InChI=1S/C12Br10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16";
dbo:iupacName "1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenyl)benzene"@en;
dbo:pubchem "26164"^^xsd:int;
dbo:smiles "C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br";
dbp:inchikey "AQPHBYQUCKHJLT-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "PBB209";
skos:prefLabel "2,2',3,3',4,4',5,5',6,6'-decabroombifenyl"@nl.
chemische_stof:AQXXZDYPVDOQEE-MXDQRGINSA-N dbo:casNumber "122157-48-6", "22204-24-6";
dbo:formula "C34H30N2O6S";
dbo:inchi "InChI=1S/C23H16O6.C11H14N2S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-6,9H,3,7-8H2,1H3/b;6-5+";
dbo:iupacName "['4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 1-methyl-2-(2-thiophen-2-ylethenyl)-5,6-dihydro-4H-pyrimidine', '4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine']"@en;
dbo:pubchem "5281033"^^xsd:int;
dbo:smiles "CN1CCCN=C1C=CC2=CC=CS2.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O";
dbp:inchikey "AQXXZDYPVDOQEE-MXDQRGINSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "pyrtpmat";
skos:prefLabel "pyrantel pamoaat"@nl.
chemische_stof:ARERIMFZYPFJAV-UHFFFAOYSA-N dbo:casNumber "115633-92-6", "40088-47-9", "82458-12-6";
dbo:formula "C12H6Br4O";
dbo:inchi "InChI=1S/C12H6Br4O/c13-7-1-3-8(4-2-7)17-10-6-5-9(14)11(15)12(10)16/h1-6H";
dbo:iupacName "1,2,3-tribromo-4-(4-bromophenoxy)benzene"@en;
dbo:pubchem "38386"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1OC2=C(C(=C(C=C2)Br)Br)Br)Br";
dbp:inchikey "ARERIMFZYPFJAV-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:closeMatch wise:CAS_40088-47-9, chemische_stof:ARERIMFZYPFJAV-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_40088-47-9, chemische_stof:ARERIMFZYPFJAV-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_40088-47-9, chemische_stof:ARERIMFZYPFJAV-UHFFFAOYSA-N;
skos:prefLabel "tetrabroomdifenylether"@nl;
skos:semanticRelation wise:CAS_40088-47-9, chemische_stof:ARERIMFZYPFJAV-UHFFFAOYSA-N.
chemische_stof:ARUVKPQLZAKDPS-UHFFFAOYSA-L dbo:casNumber "10124-44-4", "139939-69-8", "18939-61-2", "7758-98-7";
dbo:formula "CuO4S";
dbo:inchi "InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2";
dbo:iupacName "Copper sulfate"@en;
dbo:pubchem "24462"^^xsd:int;
dbo:smiles "[O-]S(=O)(=O)[O-].[Cu+2]";
dbp:inchikey "ARUVKPQLZAKDPS-UHFFFAOYSA-L";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "CuSO4";
skos:prefLabel "kopersulfaat"@nl.
chemische_stof:ARXHIJMGSIYYRZ-UHFFFAOYSA-N dbo:casNumber "38380-03-9";
dbo:formula "C12H5Cl5";
dbo:inchi "InChI=1S/C12H5Cl5/c13-7-2-1-6(5-10(7)16)11-8(14)3-4-9(15)12(11)17/h1-5H";
dbo:iupacName "1,2,4-trichloro-3-(3,4-dichlorophenyl)benzene"@en;
dbo:pubchem "38015"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1C2=C(C=CC(=C2Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "ARXHIJMGSIYYRZ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "PCB110";
skos:prefLabel "2,3,3',4',6-pentachloorbifenyl"@nl.
chemische_stof:ARXJGSRGQADJSQ-UHFFFAOYSA-N dbo:casNumber "107-98-2", "58769-19-0";
dbo:formula "C4H10O2";
dbo:inchi "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3";
dbo:iupacName "1-Methoxypropan-2-ol"@en;
dbo:pubchem "7900"^^xsd:int;
dbo:smiles "CC(COC)O";
dbp:inchikey "ARXJGSRGQADJSQ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "1C1oxC3ol";
skos:prefLabel "1-methoxy-2-propanol"@nl.
chemische_stof:ASCDQPSSGQOUOI-UHFFFAOYSA-N dbo:casNumber "12060-05-8";
dbo:formula "O7Re2-14";
dbo:inchi "InChI=1S/7O.2Re/q7*-2;;";
dbo:iupacName "oxygen(2-);rhenium"@en;
dbo:pubchem "159424"^^xsd:int;
dbo:smiles "[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Re].[Re]";
dbp:inchikey "ASCDQPSSGQOUOI-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "DReTO";
skos:prefLabel "dirhenium trioxide"@nl.
chemische_stof:ASLWPAWFJZFCKF-UHFFFAOYSA-N dbo:casNumber "13674-87-8";
dbo:formula "C9H15Cl6O4P";
dbo:inchi "InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2";
dbo:iupacName "tris(1,3-dichloropropan-2-yl) phosphate"@en;
dbo:pubchem "26177"^^xsd:int;
dbo:smiles "C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl";
dbp:inchikey "ASLWPAWFJZFCKF-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "tris-(1,3-dichloor-2-propyl)-fosfaat"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "tris2Cl1ClC1";
skos:prefLabel "tris(2-chloor-1-(chloormethyl)ethyl)fosfaat"@nl.
chemische_stof:ASWVTGNCAZCNNR-UHFFFAOYSA-N dbo:casNumber "57-68-1";
dbo:formula "C12H14N4O2S";
dbo:inchi "InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)";
dbo:iupacName "4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide"@en;
dbo:pubchem "5327"^^xsd:int;
dbo:smiles "CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C";
dbp:inchikey "ASWVTGNCAZCNNR-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "sulfamethazine"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "sulfdmdne";
skos:prefLabel "sulfadimidine"@nl.
chemische_stof:ASXBYYWOLISCLQ-ZCTIVXDHSA-N dbo:casNumber "128-46-1";
dbo:formula "C21H41N7O12";
dbo:inchi "InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,21+/m0/s1";
dbo:iupacName "2-[(1R,2S,3S,4R,5S,6S)-5-(diaminomethylideneamino)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylaminooxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine"@en;
dbo:pubchem "6602480"^^xsd:int;
dbo:smiles "CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(CO)O";
dbp:inchikey "ASXBYYWOLISCLQ-ZCTIVXDHSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "DHstreptmcne";
skos:prefLabel "dihydrostreptomycine"@nl.
chemische_stof:ATBAMAFKBVZNFJ-UHFFFAOYSA-N dbo:casNumber "7440-41-7";
dbo:formula "Be";
dbo:inchi "InChI=1S/Be";
dbo:iupacName "BERYLLIUM"@en;
dbo:pubchem "5460467"^^xsd:int;
dbo:smiles "[Be]";
dbp:inchikey "ATBAMAFKBVZNFJ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:closeMatch wise:CAS_7440-41-7, chemische_stof:ATBAMAFKBVZNFJ-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_7440-41-7, chemische_stof:ATBAMAFKBVZNFJ-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_7440-41-7, chemische_stof:ATBAMAFKBVZNFJ-UHFFFAOYSA-N;
skos:notation "Be";
skos:prefLabel "beryllium"@nl;
skos:semanticRelation wise:CAS_7440-41-7, chemische_stof:ATBAMAFKBVZNFJ-UHFFFAOYSA-N.
chemische_stof:ATBAMAFKBVZNFJ-YPZZEJLDSA-N dbo:casNumber "13966-02-4";
dbo:formula "Be";
dbo:inchi "InChI=1S/Be/i1-2";
dbo:iupacName "beryllium-7"@en;
dbo:pubchem "6335489"^^xsd:int;
dbo:smiles "[Be]";
dbp:inchikey "ATBAMAFKBVZNFJ-YPZZEJLDSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "Be7";
skos:prefLabel "beryllium 7"@nl.
chemische_stof:ATCRIUVQKHMXSH-UHFFFAOYSA-N dbo:casNumber "50-84-0";
dbo:formula "C7H4Cl2O2";
dbo:inchi "InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)";
dbo:iupacName "2,4-Dichlorobenzoic acid"@en;
dbo:pubchem "5787"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)C(=O)O";
dbp:inchikey "ATCRIUVQKHMXSH-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "24DClbenzzr";
skos:prefLabel "2,4-dichloorbenzoezuur"@nl.
chemische_stof:ATJFFYVFTNAWJD-LZFNBGRKSA-N dbo:casNumber "14683-08-0";
dbo:formula "Sn";
dbo:inchi "InChI=1S/Sn/i1+6";
dbo:iupacName "tin-125"@en;
dbo:pubchem "6336618"^^xsd:int;
dbo:smiles "[Sn]";
dbp:inchikey "ATJFFYVFTNAWJD-LZFNBGRKSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "Sn125";
skos:prefLabel "tin 125"@nl.
chemische_stof:ATJFFYVFTNAWJD-UHFFFAOYSA-N dbo:casNumber "7440-31-5";
dbo:formula "Sn";
dbo:inchi "InChI=1S/Sn";
dbo:iupacName "TIN"@en;
dbo:pubchem "5352426"^^xsd:int;
dbo:smiles "[Sn]";
dbp:inchikey "ATJFFYVFTNAWJD-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:comment "VLAR II D5 'tin en tinverbindingen, uitgedrukt als tin (Sn)'"@nl, "VLAR II bijl. 4.4.2 'tin en zijn verbindingen, uitgedrukt in Sn'"@nl, "VLAR III (D3) 'tinverbindingen, met inbegrip van organotinverbindingen, uitgedrukt als Sn'"@nl, "VLAR III (D3, diverse art) 'Sn'"@nl;
rdfs:seeAlso ;
skos:altLabel "Tin (Sn)"@nl;
skos:closeMatch wise:CAS_7440-31-5, chemische_stof:ATJFFYVFTNAWJD-UHFFFAOYSA-N;
skos:definition "tin en tinverbindingen, uitgedrukt als tin (Sn)"@nl;
skos:exactMatch wise:CAS_7440-31-5, chemische_stof:ATJFFYVFTNAWJD-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_7440-31-5, chemische_stof:ATJFFYVFTNAWJD-UHFFFAOYSA-N;
skos:notation "Sn";
skos:note "tin en tinverbindingen, uitgedrukt als tin (Sn)"@nl;
skos:prefLabel "tin"@nl;
skos:semanticRelation wise:CAS_7440-31-5, chemische_stof:ATJFFYVFTNAWJD-UHFFFAOYSA-N.
chemische_stof:ATJFFYVFTNAWJD-VENIDDJXSA-N dbo:casNumber "13966-06-8";
dbo:formula "Sn";
dbo:inchi "InChI=1S/Sn/i1-6";
dbo:iupacName "tin-113"@en;
dbo:pubchem "6335514"^^xsd:int;
dbo:smiles "[Sn]";
dbp:inchikey "ATJFFYVFTNAWJD-VENIDDJXSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "Sn113";
skos:prefLabel "tin 113"@nl.
chemische_stof:ATLMFJTZZPOKLC-UHFFFAOYSA-N dbo:casNumber "115383-22-7";
dbo:formula "C70";
dbo:inchi "InChI=1S/C70/c1-2-22-5-6-24-13-14-26-11-9-23-4-3(21(1)51-52(22)54(24)55(26)53(23)51)33-31(1)61-35-7-8-27-15-16-29-19-20-30-18-17-28-12-10(25(7)56-57(27)59(29)60(30)58(28)56)37(35)63(33)65-36(4)40(9)67(44(17)42(12)65)69-46(11)47(14)70(50(20)49(18)69)68-43(13)39(6)66(45(16)48(19)68)64-34(5)32(2)62(61)38(8)41(15)64";
dbo:iupacName "(C70-D5h(6))[5,6]fullerene"@en;
dbo:pubchem "16131935"^^xsd:int;
dbo:smiles "C12=C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%10=C%10C8=C5C1=C%10C1=C%13C5=C8C1=C2C1=C3C2=C3C%10=C%13C%14=C3C1=C8C1=C3C5=C%12C5=C8C%11=C%11C9=C7C7=C9C6=C4C2=C2C%10=C4C(=C29)C2=C6C(=C8C8=C9C6=C4C%13=C9C(=C%141)C3=C85)C%11=C27";
dbp:inchikey "ATLMFJTZZPOKLC-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "fullereen C70"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "fullrnC70";
skos:prefLabel "fullereen c70"@nl.
chemische_stof:ATNHDLDRLWWWCB-ZPPYAHEGSA-M dbo:casNumber "479-61-8";
dbo:formula "C55H72MgN4O5";
dbo:inchi "InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32?,33?,37-,41-,51?;/m0./s1";
dbo:iupacName "magnesium;methyl (21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate"@en;
dbo:pubchem "5280772"^^xsd:int;
dbo:smiles "CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C.[Mg+2]";
dbp:inchikey "ATNHDLDRLWWWCB-ZPPYAHEGSA-M";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "CHLFa";
skos:prefLabel "chlorofyl-a"@nl.
chemische_stof:ATQUFXWBVZUTKO-UHFFFAOYSA-N dbo:casNumber "27476-50-2", "693-89-0";
dbo:formula "C6H10";
dbo:inchi "InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3";
dbo:iupacName "1-Methylcyclopentene"@en;
dbo:pubchem "12746"^^xsd:int;
dbo:smiles "CC1=CCCC1";
dbp:inchikey "ATQUFXWBVZUTKO-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "C1yccC5e";
skos:prefLabel "methylcyclopenteen"@nl.
chemische_stof:ATROHALUCMTWTB-WYMLVPIESA-N dbo:casNumber "14816-18-3";
dbo:formula "C12H15N2O3PS";
dbo:inchi "InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12+";
dbo:iupacName "N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide"@en;
dbo:pubchem "9570290"^^xsd:int;
dbo:smiles "CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1";
dbp:inchikey "ATROHALUCMTWTB-WYMLVPIESA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:closeMatch wise:CAS_14816-18-3, chemische_stof:ATROHALUCMTWTB-WYMLVPIESA-N;
skos:exactMatch wise:CAS_14816-18-3, chemische_stof:ATROHALUCMTWTB-WYMLVPIESA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_14816-18-3, chemische_stof:ATROHALUCMTWTB-WYMLVPIESA-N;
skos:notation "fOxm";
skos:prefLabel "foxim"@nl;
skos:semanticRelation wise:CAS_14816-18-3, chemische_stof:ATROHALUCMTWTB-WYMLVPIESA-N.
chemische_stof:AUHZEENZYGFFBQ-UHFFFAOYSA-N dbo:casNumber "108-67-8";
dbo:formula "C9H12";
dbo:inchi "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3";
dbo:iupacName "1,3,5-Trimethylbenzene"@en;
dbo:pubchem "7947"^^xsd:int;
dbo:smiles "CC1=CC(=CC(=C1)C)C";
dbp:inchikey "AUHZEENZYGFFBQ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:comment "VLAR II bijl. 4.4.2 'trimethylbenzeen'"@nl;
rdfs:seeAlso ;
skos:closeMatch wise:CAS_108-67-8, chemische_stof:AUHZEENZYGFFBQ-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_108-67-8, chemische_stof:AUHZEENZYGFFBQ-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_108-67-8, chemische_stof:AUHZEENZYGFFBQ-UHFFFAOYSA-N;
skos:notation "135TC1yBen";
skos:prefLabel "1,3,5-trimethylbenzeen"@nl;
skos:semanticRelation wise:CAS_108-67-8, chemische_stof:AUHZEENZYGFFBQ-UHFFFAOYSA-N.
chemische_stof:AUODDLQVRAJAJM-GQYOKNPUSA-N dbo:casNumber "21462-39-5";
dbo:formula "C18H34Cl2N2O5S";
dbo:inchi "InChI=1S/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9?,10-,11+,12?,13+,14-,15-,16-,18-;/m1./s1";
dbo:iupacName "(2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide hydrochloride"@en;
dbo:pubchem "441204"^^xsd:int;
dbo:smiles "CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl.Cl";
dbp:inchikey "AUODDLQVRAJAJM-GQYOKNPUSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:prefLabel "clindamycine, waterstofchloride"@nl.
chemische_stof:AUQAUAIUNJIIEP-UHFFFAOYSA-N dbo:casNumber "2686-99-9";
dbo:formula "C11H15NO2";
dbo:inchi "InChI=1S/C11H15NO2/c1-7-5-10(14-11(13)12-4)6-8(2)9(7)3/h5-6H,1-4H3,(H,12,13)";
dbo:iupacName "(3,4,5-trimethylphenyl) N-methylcarbamate"@en;
dbo:pubchem "17592"^^xsd:int;
dbo:smiles "CC1=CC(=CC(=C1C)C)OC(=O)NC";
dbp:inchikey "AUQAUAIUNJIIEP-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "trimethacarb"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "Tmtcb";
skos:prefLabel "3,4,5-trimethacarb"@nl.
chemische_stof:AVKUERGKIZMTKX-NJBDSQKTSA-N dbo:casNumber "33604-21-6", "37234-64-3", "47355-94-2", "50584-05-9", "69-53-4", "800-79-3", "8056-87-9", "96707-69-6", "98520-55-9";
dbo:formula "C16H19N3O4S";
dbo:inchi "InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1";
dbo:iupacName "(2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"@en;
dbo:pubchem "6249"^^xsd:int;
dbo:smiles "CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C";
dbp:inchikey "AVKUERGKIZMTKX-NJBDSQKTSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "ampclne";
skos:prefLabel "ampicilline"@nl.
chemische_stof:AVQQQNCBBIEMEU-UHFFFAOYSA-N dbo:casNumber "632-22-4";
dbo:formula "C5H12N2O";
dbo:inchi "InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3";
dbo:iupacName "1,1,3,3-Tetramethylurea"@en;
dbo:pubchem "12437"^^xsd:int;
dbo:smiles "CN(C)C(=O)N(C)C";
dbp:inchikey "AVQQQNCBBIEMEU-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "T4C1yurum";
skos:prefLabel "tetramethylureum"@nl.
chemische_stof:AVRQBXVUUXHRMY-UHFFFAOYSA-N dbo:casNumber "18063-03-1";
dbo:formula "C7H5F2NO";
dbo:inchi "InChI=1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)";
dbo:iupacName "2,6-Difluorobenzamide"@en;
dbo:pubchem "87439"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)N)F";
dbp:inchikey "AVRQBXVUUXHRMY-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "26DFBenAd";
skos:prefLabel "2,6-difluorbenzamide"@nl.
chemische_stof:AVSXSVCZWQODGV-DPAQBDIFSA-N dbo:casNumber "313-04-2";
dbo:formula "C27H44O";
dbo:inchi "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1";
dbo:iupacName "(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en;
dbo:pubchem "439577"^^xsd:int;
dbo:smiles "CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C";
dbp:inchikey "AVSXSVCZWQODGV-DPAQBDIFSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "chol524Den3b";
skos:prefLabel "cholesta-5,24-dien-3-beta-ol"@nl.
chemische_stof:AVYGCQXNNJPXSS-UHFFFAOYSA-N dbo:casNumber "95-82-9";
dbo:formula "C6H5Cl2N";
dbo:inchi "InChI=1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2";
dbo:iupacName "2,5-Dichloroaniline"@en;
dbo:pubchem "7262"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1Cl)N)Cl";
dbp:inchikey "AVYGCQXNNJPXSS-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:closeMatch wise:CAS_95-82-9, chemische_stof:AVYGCQXNNJPXSS-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_95-82-9, chemische_stof:AVYGCQXNNJPXSS-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_95-82-9, chemische_stof:AVYGCQXNNJPXSS-UHFFFAOYSA-N;
skos:notation "25DClAn";
skos:prefLabel "2,5-dichlooraniline"@nl;
skos:semanticRelation wise:CAS_95-82-9, chemische_stof:AVYGCQXNNJPXSS-UHFFFAOYSA-N.
chemische_stof:AWBIJARKDOFDAN-UHFFFAOYSA-N dbo:casNumber "1331-15-3", "15176-21-3", "25136-55-4";
dbo:formula "C6H12O2";
dbo:inchi "InChI=1S/C6H12O2/c1-5-3-8-6(2)4-7-5/h5-6H,3-4H2,1-2H3";
dbo:iupacName "2,5-dimethyl-1,4-dioxane"@en;
dbo:pubchem "32803"^^xsd:int;
dbo:smiles "CC1COC(CO1)C";
dbp:inchikey "AWBIJARKDOFDAN-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "25DC1y14DOxa";
skos:prefLabel "2,5-dimethyl-1,4-dioxaan"@nl.
chemische_stof:AWJUIBRHMBBTKR-UHFFFAOYSA-N dbo:casNumber "119-65-3";
dbo:formula "C9H7N";
dbo:inchi "InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H";
dbo:iupacName "Isoquinoline"@en;
dbo:pubchem "8405"^^xsd:int;
dbo:smiles "C1=CC=C2C=NC=CC2=C1";
dbp:inchikey "AWJUIBRHMBBTKR-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "iqnlne";
skos:prefLabel "isoquinoline"@nl.
chemische_stof:AWMVMTVKBNGEAK-UHFFFAOYSA-N dbo:casNumber "62497-63-6", "67253-49-0", "96-09-3";
dbo:formula "C8H8O";
dbo:inchi "InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2";
dbo:iupacName "2-Phenyloxirane"@en;
dbo:pubchem "7276"^^xsd:int;
dbo:smiles "C1C(O1)C2=CC=CC=C2";
dbp:inchikey "AWMVMTVKBNGEAK-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "12epOxC2yBen";
skos:prefLabel "1,2-epoxyethylbenzeen"@nl.
chemische_stof:AWYOMXWDGWUJHS-UHFFFAOYSA-N dbo:casNumber "96182-53-5";
dbo:formula "C13H23N2O3PS";
dbo:inchi "InChI=1S/C13H23N2O3PS/c1-7-16-19(20,17-10(2)3)18-11-8-14-12(15-9-11)13(4,5)6/h8-10H,7H2,1-6H3";
dbo:iupacName "(2-tert-butylpyrimidin-5-yl)oxy-ethoxy-propan-2-yloxy-sulfanylidenephosphorane"@en;
dbo:pubchem "93516"^^xsd:int;
dbo:smiles "CCOP(=S)(OC1=CN=C(N=C1)C(C)(C)C)OC(C)C";
dbp:inchikey "AWYOMXWDGWUJHS-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "tebprfs";
skos:prefLabel "tebupirimfos"@nl.
chemische_stof:AWZOLILCOUMRDG-UHFFFAOYSA-N dbo:casNumber "17109-49-8";
dbo:formula "C14H15O2PS2";
dbo:inchi "InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3";
dbo:iupacName "(ethoxy-phenylsulfanylphosphoryl)sulfanylbenzene"@en;
dbo:pubchem "28292"^^xsd:int;
dbo:smiles "CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2";
dbp:inchikey "AWZOLILCOUMRDG-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "edffs";
skos:prefLabel "edifenfos"@nl.
chemische_stof:AWZVYNHQGTZJIH-UHFFFAOYSA-N dbo:casNumber "4549-40-0";
dbo:formula "C3H6N2O";
dbo:inchi "InChI=1S/C3H6N2O/c1-3-5(2)4-6/h3H,1H2,2H3";
dbo:iupacName "N-ethenyl-N-methylnitrous amide"@en;
dbo:pubchem "20678"^^xsd:int;
dbo:smiles "CN(C=C)N=O";
dbp:inchikey "AWZVYNHQGTZJIH-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "methyl-N-nitroso-vinylamine"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "C1yNNO2svnAe";
skos:prefLabel "methyl-n-nitroso-vinylamine"@nl.
chemische_stof:AXCZMVOFGPJBDE-UHFFFAOYSA-L dbo:casNumber "1305-62-0", "1333-29-5", "7719-01-9";
dbo:formula "CaH2O2";
dbo:inchi "InChI=1S/Ca.2H2O/h;2*1H2/q+2;;/p-2";
dbo:iupacName "Calcium dihydroxide"@en;
dbo:pubchem "14777"^^xsd:int;
dbo:smiles "[OH-].[OH-].[Ca+2]";
dbp:inchikey "AXCZMVOFGPJBDE-UHFFFAOYSA-L";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "CaOH2";
skos:prefLabel "calciumdihydroxide"@nl.
chemische_stof:AXGUBXVWZBFQGA-UHFFFAOYSA-N dbo:casNumber "5836-10-2";
dbo:formula "C17H16Cl2O3";
dbo:inchi "InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3";
dbo:iupacName "propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate"@en;
dbo:pubchem "22094"^^xsd:int;
dbo:smiles "CC(C)OC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O";
dbp:inchikey "AXGUBXVWZBFQGA-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "ClC3yat";
skos:prefLabel "chloorpropylaat"@nl.
chemische_stof:AXISYYRBXTVTFY-UHFFFAOYSA-N dbo:casNumber "110-27-0", "1405-98-7";
dbo:formula "C17H34O2";
dbo:inchi "InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3";
dbo:iupacName "propan-2-yl tetradecanoate"@en;
dbo:pubchem "8042"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCC(=O)OC(C)C";
dbp:inchikey "AXISYYRBXTVTFY-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "iC3ymrtt";
skos:prefLabel "isopropylmyristaat"@nl.
chemische_stof:AXKZIDYFAMKWSA-UHFFFAOYSA-N dbo:casNumber "777-95-7";
dbo:formula "C10H16O4";
dbo:inchi "InChI=1S/C10H16O4/c11-9-5-1-2-6-10(12)14-8-4-3-7-13-9/h1-8H2";
dbo:iupacName "1,6-DIOXACYCLODODECANE-7,12-DIONE"@en;
dbo:pubchem "13064"^^xsd:int;
dbo:smiles "C1CCC(=O)OCCCCOC(=O)C1";
dbp:inchikey "AXKZIDYFAMKWSA-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "16DOxccC12a7";
skos:prefLabel "1,6-dioxacyclododecaan-7,12-dion"@nl.
chemische_stof:AYAPZOUDXCDGIF-FRFVDRIFSA-M dbo:casNumber "147-52-4", "985-16-0";
dbo:formula "C21H21N2NaO5S";
dbo:inchi "InChI=1S/C21H22N2O5S.Na/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);/q;+1/p-1/t15-,16+,19-;/m1./s1";
dbo:iupacName "sodium (2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate"@en;
dbo:pubchem "64712"^^xsd:int;
dbo:smiles "CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Na+]";
dbp:inchikey "AYAPZOUDXCDGIF-FRFVDRIFSA-M";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "nafclne";
skos:prefLabel "nafcilline"@nl.
chemische_stof:AYIRNRDRBQJXIF-NXEZZACHSA-N dbo:casNumber "73231-34-2", "76639-94-6", "81588-76-3";
dbo:formula "C12H14Cl2FNO4S";
dbo:inchi "InChI=1S/C12H14Cl2FNO4S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-15)16-12(18)11(13)14/h2-5,9-11,17H,6H2,1H3,(H,16,18)/t9-,10-/m1/s1";
dbo:iupacName "2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide"@en;
dbo:pubchem "114811"^^xsd:int;
dbo:smiles "CS(=O)(=O)C1=CC=C(C=C1)C(C(CF)NC(=O)C(Cl)Cl)O";
dbp:inchikey "AYIRNRDRBQJXIF-NXEZZACHSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "florfncl";
skos:prefLabel "florfenicol"@nl.
chemische_stof:AYJXHIDNNLJQDT-UHFFFAOYSA-N dbo:casNumber "1125-21-9";
dbo:formula "C9H12O2";
dbo:inchi "InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3";
dbo:iupacName "2,6,6-Trimethylcyclohex-2-ene-1,4-dione"@en;
dbo:pubchem "62374"^^xsd:int;
dbo:smiles "CC1=CC(=O)CC(C1=O)(C)C";
dbp:inchikey "AYJXHIDNNLJQDT-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "4Ooifrn";
skos:prefLabel "4-oxoisoforon"@nl.
chemische_stof:AYOHIQLKSOJJQH-UHFFFAOYSA-N dbo:casNumber "1002-53-5";
dbo:formula "C8H18Sn";
dbo:inchi "InChI=1S/2C4H9.Sn/c2*1-3-4-2;/h2*1,3-4H2,2H3;";
dbo:iupacName "dibutyltin"@en;
dbo:pubchem "6484"^^xsd:int;
dbo:smiles "CCCC[Sn]CCCC";
dbp:inchikey "AYOHIQLKSOJJQH-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:closeMatch wise:CAS_1002-53-5, chemische_stof:AYOHIQLKSOJJQH-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_1002-53-5, chemische_stof:AYOHIQLKSOJJQH-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_1002-53-5, chemische_stof:AYOHIQLKSOJJQH-UHFFFAOYSA-N;
skos:prefLabel "dibutyltin"@nl;
skos:semanticRelation wise:CAS_1002-53-5, chemische_stof:AYOHIQLKSOJJQH-UHFFFAOYSA-N.
chemische_stof:AYVZXDFCFQSWJD-UHFFFAOYSA-N dbo:casNumber "64063-37-2";
dbo:formula "C7H7Cl2N";
dbo:inchi "InChI=1S/C7H7Cl2N/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,10H2,1H3";
dbo:iupacName "2,6-Dichloro-3-methylaniline"@en;
dbo:pubchem "116529"^^xsd:int;
dbo:smiles "CC1=C(C(=C(C=C1)Cl)N)Cl";
dbp:inchikey "AYVZXDFCFQSWJD-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "26DCl3C1yAn";
skos:prefLabel "2,6-dichloor-3-methylaniline"@nl.
chemische_stof:AYXYPKUFHZROOJ-ZETCQYMHSA-N dbo:casNumber "148553-50-8";
dbo:formula "C8H17NO2";
dbo:inchi "InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1";
dbo:iupacName "(3S)-3-(aminomethyl)-5-methylhexanoic acid"@en;
dbo:pubchem "5486971"^^xsd:int;
dbo:smiles "CC(C)CC(CC(=O)O)CN";
dbp:inchikey "AYXYPKUFHZROOJ-ZETCQYMHSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "pregbln";
skos:prefLabel "pregabalin"@nl.
chemische_stof:AZDIXEXNLJMBJO-UHFFFAOYSA-L dbo:casNumber "138-93-2";
dbo:formula "C2N2Na2S2";
dbo:inchi "InChI=1S/C2H2N2S2.2Na/c3-1-4-2(5)6;;/h(H2,4,5,6);;/q;2*+1/p-2";
dbo:iupacName "disodium cyanoiminomethanedithiolate"@en;
dbo:pubchem "61088"^^xsd:int;
dbo:smiles "C(#N)N=C([S-])[S-].[Na+].[Na+]";
dbp:inchikey "AZDIXEXNLJMBJO-UHFFFAOYSA-L";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "DNaCNDtoimdC";
skos:prefLabel "dinatriumcyanodithioimidocarbonaat"@nl.
chemische_stof:AZQWKYJCGOJGHM-UHFFFAOYSA-N dbo:casNumber "106-51-4", "19052-63-2", "3225-29-4", "51226-74-5", "54560-36-0";
dbo:formula "C6H4O2";
dbo:inchi "InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H";
dbo:iupacName "cyclohexa-2,5-diene-1,4-dione"@en;
dbo:pubchem "4650"^^xsd:int;
dbo:smiles "C1=CC(=O)C=CC1=O";
dbp:inchikey "AZQWKYJCGOJGHM-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "quinne";
skos:prefLabel "chinon"@nl.
chemische_stof:AZXHAWRMEPZSSV-UHFFFAOYSA-N dbo:casNumber "52663-72-6";
dbo:formula "C12H4Cl6";
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-4-9(15)8(14)3-6(7)5-1-10(16)12(18)11(17)2-5/h1-4H";
dbo:iupacName "1,2,3-trichloro-5-(2,4,5-trichlorophenyl)benzene"@en;
dbo:pubchem "40479"^^xsd:int;
dbo:smiles "C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl";
dbp:inchikey "AZXHAWRMEPZSSV-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl;
rdfs:seeAlso ;
skos:altLabel "2,3',4,4',5,5'-hexachloorbifenyl (pcb167)"@nl, "2,3',4,4',5,5'-hexachloorbifenyl"@nl, "PCB 167"@nl;
skos:closeMatch wise:CAS_52663-72-6, chemische_stof:AZXHAWRMEPZSSV-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_52663-72-6, chemische_stof:AZXHAWRMEPZSSV-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_52663-72-6, chemische_stof:AZXHAWRMEPZSSV-UHFFFAOYSA-N;
skos:notation "PCB167";
skos:prefLabel "pcb 167"@nl;
skos:semanticRelation wise:CAS_52663-72-6, chemische_stof:AZXHAWRMEPZSSV-UHFFFAOYSA-N.
chemische_stof:AZZMGZXNTDTSME-XJTDMATHSA-M dbo:casNumber "63527-52-6";
dbo:formula "C16H16N5NaO7S2";
dbo:inchi "InChI=1S/C16H17N5O7S2.Na/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8;/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26);/q;+1/p-1/b20-9-;/t10-,14-;/m0./s1";
dbo:iupacName "sodium (6S,7S)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"@en;
dbo:pubchem "9570740"^^xsd:int;
dbo:smiles "CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)[O-].[Na+]";
dbp:inchikey "AZZMGZXNTDTSME-XJTDMATHSA-M";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "ceftxme";
skos:prefLabel "cefotaxime"@nl.
chemische_stof:BABJTMNVJXLAEX-UHFFFAOYSA-N dbo:casNumber "1031-47-6";
dbo:formula "C12H19N6OP";
dbo:inchi "InChI=1S/C12H19N6OP/c1-16(2)20(19,17(3)4)18-12(13)14-11(15-18)10-8-6-5-7-9-10/h5-9H,1-4H3,(H2,13,14,15)";
dbo:iupacName "2-bis(dimethylamino)phosphoryl-5-phenyl-1,2,4-triazol-3-amine"@en;
dbo:pubchem "13943"^^xsd:int;
dbo:smiles "CN(C)P(=O)(N1C(=NC(=N1)C2=CC=CC=C2)N)N(C)C";
dbp:inchikey "BABJTMNVJXLAEX-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "Tamfs";
skos:prefLabel "triamifos"@nl.
chemische_stof:BACHBFVBHLGWSL-UHFFFAOYSA-N dbo:casNumber "51142-56-4", "51338-27-3", "75045-48-6";
dbo:formula "C16H14Cl2O4";
dbo:inchi "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3";
dbo:iupacName "methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate"@en;
dbo:pubchem "39985"^^xsd:int;
dbo:smiles "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl";
dbp:inchikey "BACHBFVBHLGWSL-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "DcfC1y";
skos:prefLabel "diclofop-methyl"@nl.
chemische_stof:BAFQDKPJKOLXFZ-UHFFFAOYSA-N dbo:casNumber "950-35-6";
dbo:formula "C8H10NO6P";
dbo:inchi "InChI=1S/C8H10NO6P/c1-13-16(12,14-2)15-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3";
dbo:iupacName "dimethyl (4-nitrophenyl) phosphate"@en;
dbo:pubchem "13708"^^xsd:int;
dbo:smiles "COP(=O)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]";
dbp:inchikey "BAFQDKPJKOLXFZ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "paroonC1y";
skos:prefLabel "paraoxon-methyl"@nl.
chemische_stof:BAJQRLZAPXASRD-UHFFFAOYSA-N dbo:casNumber "28984-85-2", "92-93-3";
dbo:formula "C12H9NO2";
dbo:inchi "InChI=1S/C12H9NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H";
dbo:iupacName "1-Nitro-4-phenylbenzene"@en;
dbo:pubchem "7114"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]";
dbp:inchikey "BAJQRLZAPXASRD-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "4NO2DFy";
skos:prefLabel "4-nitrodifenyl"@nl.
chemische_stof:BAPJBEWLBFYGME-UHFFFAOYSA-N dbo:casNumber "102256-29-1", "96-33-3";
dbo:formula "C4H6O2";
dbo:inchi "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3";
dbo:iupacName "methyl prop-2-enoate"@en;
dbo:pubchem "7294"^^xsd:int;
dbo:smiles "COC(=O)C=C";
dbp:inchikey "BAPJBEWLBFYGME-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:comment "VLAR II bijl. 4.4.2"@nl;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "C1yaclt";
skos:prefLabel "methylacrylaat"@nl.
chemische_stof:BAQAVOSOZGMPRM-QBMZZYIRSA-N dbo:casNumber "56038-13-2";
dbo:formula "C12H19Cl3O8";
dbo:inchi "InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1";
dbo:iupacName "(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-5-chloro-6-(hydroxymethyl)oxane-3,4-diol"@en;
dbo:pubchem "71485"^^xsd:int;
dbo:smiles "C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CCl)O)O)Cl)O";
dbp:inchikey "BAQAVOSOZGMPRM-QBMZZYIRSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "suclse";
skos:prefLabel "sucralose"@nl.
chemische_stof:BASFCYQUMIYNBI-UHFFFAOYSA-N dbo:casNumber "21547-63-7", "7440-06-4";
dbo:formula "Pt";
dbo:inchi "InChI=1S/Pt";
dbo:iupacName "PLATINUM"@en;
dbo:pubchem "23939"^^xsd:int;
dbo:smiles "[Pt]";
dbp:inchikey "BASFCYQUMIYNBI-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl;
rdfs:seeAlso ;
skos:altLabel "platina (Pt)"@nl;
skos:definition "Platina en zijn verbindingen, uitgedrukt als Pt"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "Pt";
skos:note "Platina en zijn verbindingen, uitgedrukt als Pt"@nl;
skos:prefLabel "platina"@nl.
chemische_stof:BAUYGSIQEAFULO-UHFFFAOYSA-L dbo:casNumber "139939-63-2", "16547-58-3", "56172-58-8", "7720-78-7", "8060-18-2", "8063-79-4";
dbo:formula "FeO4S";
dbo:inchi "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2";
dbo:iupacName "iron(+2) cation sulfate"@en;
dbo:pubchem "24393"^^xsd:int;
dbo:smiles "[O-]S(=O)(=O)[O-].[Fe+2]";
dbp:inchikey "BAUYGSIQEAFULO-UHFFFAOYSA-L";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "ijzer(II)sulfaat"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "FeSO4";
skos:prefLabel "ijzer(ii)sulfaat"@nl.
chemische_stof:BAVYZALUXZFZLV-UHFFFAOYSA-N dbo:casNumber "119775-09-6", "42939-70-8", "74-89-5", "85404-17-7";
dbo:formula "CH5N";
dbo:inchi "InChI=1S/CH5N/c1-2/h2H2,1H3";
dbo:iupacName "Methanamine"@en;
dbo:pubchem "6329"^^xsd:int;
dbo:smiles "CN";
dbp:inchikey "BAVYZALUXZFZLV-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl;
rdfs:seeAlso ;
skos:altLabel "methylamine"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "MC1yAe";
skos:prefLabel "monomethylamine"@nl.
chemische_stof:BAZVSMNPJJMILC-OLZOCXBDSA-N dbo:casNumber "82200-72-4";
dbo:formula "C14H18ClN3O2";
dbo:inchi "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3/t12-,13+/m1/s1";
dbo:iupacName "(1S,2S)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol"@en;
dbo:pubchem "93469"^^xsd:int;
dbo:smiles "CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O";
dbp:inchikey "BAZVSMNPJJMILC-OLZOCXBDSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "triadimenol-B"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "TadmnlB";
skos:prefLabel "triadimenol-b"@nl.
chemische_stof:BAZVSMNPJJMILC-STQMWFEESA-N dbo:casNumber "89482-17-7";
dbo:formula "C14H18ClN3O2";
dbo:inchi "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3/t12-,13-/m0/s1";
dbo:iupacName "(1S,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol"@en;
dbo:pubchem "92416"^^xsd:int;
dbo:smiles "CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O";
dbp:inchikey "BAZVSMNPJJMILC-STQMWFEESA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "triadimenol-a"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "TadmnlA";
skos:prefLabel "triadimenol-A"@nl.
chemische_stof:BAZVSMNPJJMILC-UHFFFAOYSA-N dbo:casNumber "55219-65-3";
dbo:formula "C14H18ClN3O2";
dbo:inchi "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3";
dbo:iupacName "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol"@en;
dbo:pubchem "41368"^^xsd:int;
dbo:smiles "CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O";
dbp:inchikey "BAZVSMNPJJMILC-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "Tadmnl";
skos:prefLabel "triadimenol"@nl.
chemische_stof:BBABSCYTNHOKOG-UHFFFAOYSA-N dbo:casNumber "1825-21-4";
dbo:formula "C7H3Cl5O";
dbo:inchi "InChI=1S/C7H3Cl5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3";
dbo:iupacName "1,2,3,4,5-pentachloro-6-methoxybenzene"@en;
dbo:pubchem "15767"^^xsd:int;
dbo:smiles "COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "BBABSCYTNHOKOG-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "PeClansl";
skos:prefLabel "pentachlooranisol"@nl.
chemische_stof:BBBUAWSVILPJLL-UHFFFAOYSA-N dbo:casNumber "102640-36-8", "145928-91-2", "2461-15-6", "98913-53-2";
dbo:formula "C11H22O2";
dbo:inchi "InChI=1S/C11H22O2/c1-3-5-6-10(4-2)7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3";
dbo:iupacName "2-(2-ethylhexoxymethyl)oxirane"@en;
dbo:pubchem "17162"^^xsd:int;
dbo:smiles "CCCCC(CC)COCC1CO1";
dbp:inchikey "BBBUAWSVILPJLL-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "2C2yC6ygcdEt";
skos:prefLabel "2-ethylhexylglycidylether"@nl.
chemische_stof:BBDKZWKEPDTENS-UHFFFAOYSA-N dbo:casNumber "100-40-3", "92619-43-7";
dbo:formula "C8H12";
dbo:inchi "InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2";
dbo:iupacName "4-Ethenylcyclohexene"@en;
dbo:pubchem "7499"^^xsd:int;
dbo:smiles "C=CC1CCC=CC1";
dbp:inchikey "BBDKZWKEPDTENS-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "4vn1ccC6e";
skos:prefLabel "4-vinyl-1-cyclohexeen"@nl.
chemische_stof:BBEAQIROQSPTKN-UHFFFAOYSA-N dbo:casNumber "129-00-0", "76165-23-6";
dbo:formula "C16H10";
dbo:inchi "InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H";
dbo:iupacName "PYRENE"@en;
dbo:pubchem "31423"^^xsd:int;
dbo:smiles "C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2";
dbp:inchikey "BBEAQIROQSPTKN-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:closeMatch wise:CAS_129-00-0, chemische_stof:BBEAQIROQSPTKN-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_129-00-0, chemische_stof:BBEAQIROQSPTKN-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_129-00-0, chemische_stof:BBEAQIROQSPTKN-UHFFFAOYSA-N;
skos:notation "Pyr";
skos:prefLabel "pyreen"@nl;
skos:semanticRelation wise:CAS_129-00-0, chemische_stof:BBEAQIROQSPTKN-UHFFFAOYSA-N.
chemische_stof:BBJPZPLAZVZTGR-UHFFFAOYSA-N dbo:casNumber "25366-23-8";
dbo:formula "C6H7F3N4OS";
dbo:inchi "InChI=1S/C6H7F3N4OS/c1-10-4(14)13(2)5-12-11-3(15-5)6(7,8)9/h1-2H3,(H,10,14)";
dbo:iupacName "1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea"@en;
dbo:pubchem "32921"^^xsd:int;
dbo:smiles "CNC(=O)N(C)C1=NN=C(S1)C(F)(F)F";
dbp:inchikey "BBJPZPLAZVZTGR-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "thiazfrn";
skos:prefLabel "thiazafluron"@nl.
chemische_stof:BBLDTXFLAHKYFJ-UHFFFAOYSA-N dbo:casNumber "15045-43-9";
dbo:formula "C8H16O";
dbo:inchi "InChI=1S/C8H16O/c1-7(2)5-6-8(3,4)9-7/h5-6H2,1-4H3";
dbo:iupacName "2,2,5,5-tetramethyloxolane"@en;
dbo:pubchem "27010"^^xsd:int;
dbo:smiles "CC1(CCC(O1)(C)C)C";
dbp:inchikey "BBLDTXFLAHKYFJ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "2255T4C4yT4H";
skos:prefLabel "2,2,5,5,-tetramethyl-tetrahydrofuran"@nl.
chemische_stof:BBXXLROWFHWFQY-UHFFFAOYSA-N dbo:casNumber "23947-60-6";
dbo:formula "C11H19N3O";
dbo:inchi "InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)";
dbo:iupacName "5-butyl-2-ethylamino-6-methyl-1H-pyrimidin-4-one"@en;
dbo:pubchem "32152"^^xsd:int;
dbo:smiles "CCCCC1=C(NC(=NC1=O)NCC)C";
dbp:inchikey "BBXXLROWFHWFQY-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "etrml";
skos:prefLabel "ethirimol"@nl.
chemische_stof:BCCOBQSFUDVTJQ-UHFFFAOYSA-N dbo:casNumber "25510-99-0";
dbo:formula "C4F8";
dbo:inchi "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10";
dbo:iupacName "1,1,2,2,3,3,4,4-octafluorocyclobutane"@en;
dbo:pubchem "8263"^^xsd:int;
dbo:smiles "C1(C(C(C1(F)F)(F)F)(F)F)(F)F";
dbp:inchikey "BCCOBQSFUDVTJQ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "perfluorcyclobutaan"@nl;
skos:definition "Octacyclofluorbutaan is cyclobutaan waarin alle waterstofatomen zijn vervangen door fluorverbindingen. Het is een fluorkoolstof en een fluoralkaan. Het is afgeleid van een hydride van een cyclobutaan."@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "c-C4F8";
skos:note "Octacyclofluorbutaan is cyclobutaan waarin alle waterstofatomen zijn vervangen door fluorverbindingen. Het is een fluorkoolstof en een fluoralkaan. Het is afgeleid van een hydride van een cyclobutaan."@nl;
skos:prefLabel "octafluorcyclobutaan"@nl.
chemische_stof:BCQMBFHBDZVHKU-UHFFFAOYSA-N dbo:casNumber "33693-04-8";
dbo:formula "C10H19N5O";
dbo:inchi "InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)";
dbo:iupacName "N-tert-butyl-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine"@en;
dbo:pubchem "36584"^^xsd:int;
dbo:smiles "CCNC1=NC(=NC(=N1)OC)NC(C)(C)C";
dbp:inchikey "BCQMBFHBDZVHKU-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "terbmtn";
skos:prefLabel "terbumeton"@nl.
chemische_stof:BCSGAWBQJHXXSE-UHFFFAOYSA-N dbo:casNumber "27253-26-5", "68515-47-9";
dbo:formula "C34H58O4";
dbo:inchi "InChI=1S/C34H58O4/c1-29(2)23-17-13-9-5-7-11-15-21-27-37-33(35)31-25-19-20-26-32(31)34(36)38-28-22-16-12-8-6-10-14-18-24-30(3)4/h19-20,25-26,29-30H,5-18,21-24,27-28H2,1-4H3";
dbo:iupacName "bis(11-methyldodecyl) benzene-1,2-dicarboxylate"@en;
dbo:pubchem "161559"^^xsd:int;
dbo:smiles "CC(C)CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC(C)C";
dbp:inchikey "BCSGAWBQJHXXSE-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "C13-rijk di-C11-14-vertakt alkylftalaat"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "C13D1114akFt", "DiC13yFt";
skos:prefLabel "diisotridecylftalaat"@nl.
chemische_stof:BCTQJXQXJVLSIG-UHFFFAOYSA-N dbo:casNumber "55814-41-0";
dbo:formula "C17H19NO2";
dbo:inchi "InChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19)";
dbo:iupacName "2-methyl-N-(3-propan-2-yloxyphenyl)benzamide"@en;
dbo:pubchem "41632"^^xsd:int;
dbo:smiles "CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)OC(C)C";
dbp:inchikey "BCTQJXQXJVLSIG-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "mepnl";
skos:prefLabel "mepronil"@nl.
chemische_stof:BDAGIHXWWSANSR-UHFFFAOYSA-N dbo:casNumber "15907-03-6", "64-18-6", "7056-83-9", "8006-93-7", "82069-14-5";
dbo:formula "CH2O2";
dbo:inchi "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)";
dbo:iupacName "formic acid"@en;
dbo:pubchem "284"^^xsd:int;
dbo:smiles "C(=O)O";
dbp:inchikey "BDAGIHXWWSANSR-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl;
rdfs:seeAlso ;
skos:altLabel "methaanzuur"@nl, "mierenzuur"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "C1azr";
skos:prefLabel "mierenzuur"@nl.
chemische_stof:BDCFWIDZNLCTMF-UHFFFAOYSA-N dbo:casNumber "617-94-7";
dbo:formula "C9H12O";
dbo:inchi "InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3";
dbo:iupacName "2-Phenylpropan-2-ol"@en;
dbo:pubchem "12053"^^xsd:int;
dbo:smiles "CC(C)(C1=CC=CC=C1)O";
dbp:inchikey "BDCFWIDZNLCTMF-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "2FyiC3ol";
skos:prefLabel "2-fenylisopropanol"@nl.
chemische_stof:BDERNNFJNOPAEC-UHFFFAOYSA-N dbo:casNumber "62309-51-7", "71-23-8";
dbo:formula "C3H8O";
dbo:inchi "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3";
dbo:iupacName "Propan-1-ol"@en;
dbo:pubchem "1031"^^xsd:int;
dbo:smiles "CCCO";
dbp:inchikey "BDERNNFJNOPAEC-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:comment "VLAR II bijl. 4.4.2 'alkylalcohol'"@nl;
rdfs:seeAlso ;
skos:altLabel "propanol"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "C3ol";
skos:prefLabel "n-propanol"@nl.
chemische_stof:BDFAOUQQXJIZDG-UHFFFAOYSA-N dbo:casNumber "513-44-0";
dbo:formula "C4H10S";
dbo:inchi "InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3";
dbo:iupacName "2-Methylpropane-1-thiol"@en;
dbo:pubchem "10558"^^xsd:int;
dbo:smiles "CC(C)CS";
dbp:inchikey "BDFAOUQQXJIZDG-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "2C1y1C3atol";
skos:prefLabel "2-methyl-1-propaanthiol"@nl.
chemische_stof:BDOSMKKIYDKNTQ-OIOBTWANSA-N dbo:casNumber "14109-32-1";
dbo:formula "Cd";
dbo:inchi "InChI=1S/Cd/i1-3";
dbo:iupacName "cadmium-109"@en;
dbo:pubchem "104782"^^xsd:int;
dbo:smiles "[Cd]";
dbp:inchikey "BDOSMKKIYDKNTQ-OIOBTWANSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "Cd109";
skos:prefLabel "cadmium 109"@nl.
chemische_stof:BEMXOWRVWRNPPL-UHFFFAOYSA-N dbo:casNumber "3735-33-9";
dbo:formula "C11H12NO5PS";
dbo:inchi "InChI=1S/C11H12NO5PS/c1-16-18(15,17-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3";
dbo:iupacName "2-(dimethoxyphosphorylsulfanylmethyl)isoindole-1,3-dione"@en;
dbo:pubchem "77323"^^xsd:int;
dbo:smiles "COP(=O)(OC)SCN1C(=O)C2=CC=CC=C2C1=O";
dbp:inchikey "BEMXOWRVWRNPPL-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "fosmOon";
skos:prefLabel "fosmet-oxon"@nl.
chemische_stof:BERQWQSQOIEUMA-UHFFFAOYSA-M dbo:casNumber "19437-42-4";
dbo:formula "C10H7NaO9S3";
dbo:inchi "InChI=1S/C10H8O9S3.Na/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);/q;+1/p-1";
dbo:iupacName "sodium 3,6-disulfonaphthalene-1-sulfonate"@en;
dbo:pubchem "88066"^^xsd:int;
dbo:smiles "C1=CC2=C(C=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)[O-].[Na+]";
dbp:inchikey "BERQWQSQOIEUMA-UHFFFAOYSA-M";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "Naf136TsfntN";
skos:prefLabel "naftaleen-1,3,6-trisulfonaat,natriumzout"@nl.
chemische_stof:BEZZFPOZAYTVHN-UHFFFAOYSA-N dbo:casNumber "53716-50-0";
dbo:formula "C15H13N3O3S";
dbo:inchi "InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)";
dbo:iupacName "methyl N-(6-phenylsulfinyl-1H-benzimidazol-2-yl)carbamate"@en;
dbo:pubchem "40854"^^xsd:int;
dbo:smiles "COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3";
dbp:inchikey "BEZZFPOZAYTVHN-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "oxfdzle";
skos:prefLabel "oxfendazole"@nl.
chemische_stof:BFCFYVKQTRLZHA-UHFFFAOYSA-N dbo:casNumber "25167-93-5", "88-73-3";
dbo:formula "C6H4ClNO2";
dbo:inchi "InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H";
dbo:iupacName "1-Chloro-2-nitrobenzene"@en;
dbo:pubchem "6945"^^xsd:int;
dbo:smiles "C1=CC=C(C(=C1)[N+](=O)[O-])Cl";
dbp:inchikey "BFCFYVKQTRLZHA-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:altLabel "1-chloor-2-nitrobenzeen"@nl;
skos:closeMatch wise:CAS_88-73-3, chemische_stof:BFCFYVKQTRLZHA-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_88-73-3, chemische_stof:BFCFYVKQTRLZHA-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_88-73-3, chemische_stof:BFCFYVKQTRLZHA-UHFFFAOYSA-N;
skos:notation "1Cl2NO2Ben", "ClNO2Ben";
skos:prefLabel "chloornitrobenzeen"@nl;
skos:semanticRelation wise:CAS_88-73-3, chemische_stof:BFCFYVKQTRLZHA-UHFFFAOYSA-N.
chemische_stof:BFGKITSFLPAWGI-UHFFFAOYSA-N dbo:casNumber "16065-83-1";
dbo:formula "Cr+3";
dbo:inchi "InChI=1S/Cr/q+3";
dbo:iupacName "chromium(+3) cation"@en;
dbo:pubchem "27668"^^xsd:int;
dbo:smiles "[Cr+3]";
dbp:inchikey "BFGKITSFLPAWGI-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "chroom (driewaardig)"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "CrIII";
skos:prefLabel "chroom, driewaardig"@nl.
chemische_stof:BFIMMTCNYPIMRN-UHFFFAOYSA-N dbo:casNumber "527-53-7";
dbo:formula "C10H14";
dbo:inchi "InChI=1S/C10H14/c1-7-5-8(2)10(4)9(3)6-7/h5-6H,1-4H3";
dbo:iupacName "1,2,3,5-Tetramethylbenzene"@en;
dbo:pubchem "10695"^^xsd:int;
dbo:smiles "CC1=CC(=C(C(=C1)C)C)C";
dbp:inchikey "BFIMMTCNYPIMRN-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "1235T4C1yBen";
skos:prefLabel "1,2,3,5-tetramethylbenzeen"@nl.
chemische_stof:BFKJFAAPBSQJPD-UHFFFAOYSA-N dbo:casNumber "116-14-3", "9014-83-9";
dbo:formula "C2F4";
dbo:inchi "InChI=1S/C2F4/c3-1(4)2(5)6";
dbo:iupacName "1,1,2,2-tetrafluoroethene"@en;
dbo:pubchem "8301"^^xsd:int;
dbo:smiles "C(=C(F)F)(F)F";
dbp:inchikey "BFKJFAAPBSQJPD-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "T4FC2e";
skos:prefLabel "tetrafluoretheen"@nl.
chemische_stof:BFPYWIDHMRZLRN-SLHNCBLASA-N dbo:casNumber "57-63-6", "77538-56-8";
dbo:formula "C20H24O2";
dbo:inchi "InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1";
dbo:iupacName "(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol"@en;
dbo:pubchem "5991"^^xsd:int;
dbo:smiles "CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O";
dbp:inchikey "BFPYWIDHMRZLRN-SLHNCBLASA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:altLabel "ethinylestradiol"@nl;
skos:closeMatch wise:CAS_57-63-6, chemische_stof:BFPYWIDHMRZLRN-SLHNCBLASA-N;
skos:exactMatch wise:CAS_57-63-6, chemische_stof:BFPYWIDHMRZLRN-SLHNCBLASA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_57-63-6, chemische_stof:BFPYWIDHMRZLRN-SLHNCBLASA-N;
skos:notation "etnetDol";
skos:prefLabel "17-alfa-ethinylestradiol"@nl;
skos:semanticRelation wise:CAS_57-63-6, chemische_stof:BFPYWIDHMRZLRN-SLHNCBLASA-N.
chemische_stof:BGCSUUSPRCDKBQ-UHFFFAOYSA-N dbo:casNumber "126-54-5";
dbo:formula "C7H12O4";
dbo:inchi "InChI=1S/C7H12O4/c1-7(2-9-5-8-1)3-10-6-11-4-7/h1-6H2";
dbo:iupacName "2,4,8,10-Tetraoxaspiro[5.5]undecane"@en;
dbo:pubchem "78951"^^xsd:int;
dbo:smiles "C1C2(COCO1)COCOC2";
dbp:inchikey "BGCSUUSPRCDKBQ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "24810T4Oasr5";
skos:prefLabel "2,4,8,10 tetraoxaspiro(5.5)undecaan"@nl.
chemische_stof:BGDCQZFFNFXYQC-UHFFFAOYSA-N dbo:casNumber "13290-74-9";
dbo:formula "C7H6ClNO2";
dbo:inchi "InChI=1S/C7H6ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3";
dbo:iupacName "1-Chloro-2-methyl-4-nitrobenzene"@en;
dbo:pubchem "83315"^^xsd:int;
dbo:smiles "CC1=C(C=CC(=C1)[N+](=O)[O-])Cl";
dbp:inchikey "BGDCQZFFNFXYQC-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "2Cl5NO2Tol";
skos:prefLabel "2-chloor-5-nitrotolueen"@nl.
chemische_stof:BGEHHAVMRVXCGR-UHFFFAOYSA-N dbo:casNumber "10486-19-8";
dbo:formula "C13H26O";
dbo:inchi "InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3";
dbo:iupacName "TRIDECANAL"@en;
dbo:pubchem "25311"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCC=O";
dbp:inchikey "BGEHHAVMRVXCGR-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "C13al";
skos:prefLabel "tridecanal"@nl.
chemische_stof:BGJSXRVXTHVRSN-UHFFFAOYSA-N dbo:casNumber "110-88-3", "113783-48-5";
dbo:formula "C3H6O3";
dbo:inchi "InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2";
dbo:iupacName "1,3,5-Trioxane"@en;
dbo:pubchem "8081"^^xsd:int;
dbo:smiles "C1OCOCO1";
dbp:inchikey "BGJSXRVXTHVRSN-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "TOxC1ye";
skos:prefLabel "trioxymethyleen"@nl.
chemische_stof:BGQMOFGZRJUORO-UHFFFAOYSA-M dbo:casNumber "1941-30-6", "65129-03-5", "65129-05-7";
dbo:formula "C12H28BrN";
dbo:inchi "InChI=1S/C12H28N.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1";
dbo:iupacName "tetrapropylazanium bromide"@en;
dbo:pubchem "74745"^^xsd:int;
dbo:smiles "CCC[N+](CCC)(CCC)CCC.[Br-]";
dbp:inchikey "BGQMOFGZRJUORO-UHFFFAOYSA-M";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "T4C3yNH3Br";
skos:prefLabel "tetrapropylammoniumbromide"@nl.
chemische_stof:BGRDGMRNKXEXQD-UHFFFAOYSA-N dbo:casNumber "10071-13-3", "123-33-1", "220787-04-2", "48100-18-1", "5425-79-6", "66988-32-7", "92335-53-0";
dbo:formula "C4H4N2O2";
dbo:inchi "InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)";
dbo:iupacName "1,2-Dihydropyridazine-3,6-dione"@en;
dbo:pubchem "21954"^^xsd:int;
dbo:smiles "C1=CC(=O)NNC1=O";
dbp:inchikey "BGRDGMRNKXEXQD-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "malinhdzde";
skos:prefLabel "maleinehydrazide"@nl.
chemische_stof:BGRJTUBHPOOWDU-UHFFFAOYSA-N dbo:casNumber "15676-16-1", "23672-07-3";
dbo:formula "C15H23N3O4S";
dbo:inchi "InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)";
dbo:iupacName "N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide"@en;
dbo:pubchem "5355"^^xsd:int;
dbo:smiles "CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC";
dbp:inchikey "BGRJTUBHPOOWDU-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "sulprde";
skos:prefLabel "sulpiride"@nl.
chemische_stof:BGRWYDHXPHLNKA-UHFFFAOYSA-N dbo:casNumber "10543-57-4";
dbo:formula "C10H16N2O4";
dbo:inchi "InChI=1S/C10H16N2O4/c1-7(13)11(8(2)14)5-6-12(9(3)15)10(4)16/h5-6H2,1-4H3";
dbo:iupacName "N-acetyl-N-[2-(diacetylamino)ethyl]acetamide"@en;
dbo:pubchem "66347"^^xsd:int;
dbo:smiles "CC(=O)N(CCN(C(=O)C)C(=O)C)C(=O)C";
dbp:inchikey "BGRWYDHXPHLNKA-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "TAED";
skos:prefLabel "tetraacetylethyleendiamine"@nl.
chemische_stof:BHAAPTBBJKJZER-UHFFFAOYSA-N dbo:casNumber "104-94-9";
dbo:formula "C7H9NO";
dbo:inchi "InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3";
dbo:iupacName "4-Methoxyaniline"@en;
dbo:pubchem "7732"^^xsd:int;
dbo:smiles "COC1=CC=C(C=C1)N";
dbp:inchikey "BHAAPTBBJKJZER-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "pansdne";
skos:prefLabel "p-anisidine"@nl.
chemische_stof:BHFJBHMTEDLICO-UHFFFAOYSA-N dbo:casNumber "307-35-7";
dbo:formula "C8F18O2S";
dbo:inchi "InChI=1S/C8F18O2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28";
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl fluoride"@en;
dbo:pubchem "9388"^^xsd:int;
dbo:smiles "C(C(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F";
dbp:inchikey "BHFJBHMTEDLICO-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "PFOSF";
skos:prefLabel "perfluorooctaansulfonylfluoride"@nl.
chemische_stof:BHHGXPLMPWCGHP-UHFFFAOYSA-N dbo:casNumber "64-04-0";
dbo:formula "C8H11N";
dbo:inchi "InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2";
dbo:iupacName "2-phenylethanamine"@en;
dbo:pubchem "1001"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)CCN";
dbp:inchikey "BHHGXPLMPWCGHP-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "2FyC2yAe";
skos:prefLabel "b-fenylethylamine"@nl.
chemische_stof:BHIWKHZACMWKOJ-UHFFFAOYSA-N dbo:casNumber "547-63-7";
dbo:formula "C5H10O2";
dbo:inchi "InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3";
dbo:iupacName "Methyl 2-methylpropanoate"@en;
dbo:pubchem "11039"^^xsd:int;
dbo:smiles "CC(C)C(=O)OC";
dbp:inchikey "BHIWKHZACMWKOJ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "C1y2C1yppnat";
skos:prefLabel "methyl 2-methylpropanoaat"@nl.
chemische_stof:BHNHHSOHWZKFOX-UHFFFAOYSA-N dbo:casNumber "95-20-5";
dbo:formula "C9H9N";
dbo:inchi "InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3";
dbo:iupacName "2-Methyl-1H-indole"@en;
dbo:pubchem "7224"^^xsd:int;
dbo:smiles "CC1=CC2=CC=CC=C2N1";
dbp:inchikey "BHNHHSOHWZKFOX-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "2C1yidl";
skos:prefLabel "2-methylindol"@nl.
chemische_stof:BHNQPLPANNDEGL-UHFFFAOYSA-N dbo:casNumber "26636-32-8", "51437-89-9";
dbo:formula "C16H26O2";
dbo:inchi "InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-14-13-17/h9-12,17H,2-8,13-14H2,1H3";
dbo:iupacName "2-(4-octylphenoxy)ethanol"@en;
dbo:pubchem "94543"^^xsd:int;
dbo:smiles "CCCCCCCCC1=CC=C(C=C1)OCCO";
dbp:inchikey "BHNQPLPANNDEGL-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:prefLabel "octylfenolpolyethoxylaat"@nl.
chemische_stof:BHNZEZWIUMJCGF-UHFFFAOYSA-N dbo:casNumber "65762-25-6", "75-68-3";
dbo:formula "C2H3ClF2";
dbo:inchi "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3";
dbo:iupacName "1-Chloro-1,1-difluoroethane"@en;
dbo:pubchem "6388"^^xsd:int;
dbo:smiles "CC(F)(F)Cl";
dbp:inchikey "BHNZEZWIUMJCGF-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "HCFK142b";
skos:prefLabel "1-chloor-1,1-difluorethaan"@nl.
chemische_stof:BHPQYMZQTOCNFJ-UHFFFAOYSA-N dbo:casNumber "14127-61-8", "17787-72-3";
dbo:formula "Ca+2";
dbo:inchi "InChI=1S/Ca/q+2";
dbo:iupacName "calcium(+2) cation"@en;
dbo:pubchem "271"^^xsd:int;
dbo:smiles "[Ca+2]";
dbp:inchikey "BHPQYMZQTOCNFJ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:prefLabel "calcium, tweewaardig"@nl.
chemische_stof:BHRZNVHARXXAHW-UHFFFAOYSA-N dbo:casNumber "13250-12-9", "13952-84-6", "33966-50-6", "513-49-5", "776995-07-4";
dbo:formula "C4H11N";
dbo:inchi "InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3";
dbo:iupacName "butan-2-amine"@en;
dbo:pubchem "24874"^^xsd:int;
dbo:smiles "CCC(C)N";
dbp:inchikey "BHRZNVHARXXAHW-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "secC4yAe";
skos:prefLabel "sec-butylamine"@nl.
chemische_stof:BHWVLZJTVIYLIV-UHFFFAOYSA-N dbo:casNumber "70362-50-4";
dbo:formula "C12H6Cl4";
dbo:inchi "InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H";
dbo:iupacName "1,2,3-trichloro-5-(4-chlorophenyl)benzene"@en;
dbo:pubchem "51043"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl";
dbp:inchikey "BHWVLZJTVIYLIV-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl;
rdfs:seeAlso ;
skos:altLabel "3,4,4',5-tetrachloorbifenyl (pcb81)"@nl, "3,4,4',5-tetrachlorobifenyl"@nl, "pcb 81"@nl;
skos:closeMatch wise:CAS_70362-50-4, chemische_stof:BHWVLZJTVIYLIV-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_70362-50-4, chemische_stof:BHWVLZJTVIYLIV-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_70362-50-4, chemische_stof:BHWVLZJTVIYLIV-UHFFFAOYSA-N;
skos:notation "PCB81";
skos:prefLabel "PCB 81"@nl;
skos:semanticRelation wise:CAS_70362-50-4, chemische_stof:BHWVLZJTVIYLIV-UHFFFAOYSA-N.
chemische_stof:BHYQWBKCXBXPKM-UHFFFAOYSA-N dbo:casNumber "134376-16-2", "19186-97-1", "36483-58-6";
dbo:formula "C15H24Br9O4P";
dbo:inchi "InChI=1S/C15H24Br9O4P/c16-1-13(2-17,3-18)10-26-29(25,27-11-14(4-19,5-20)6-21)28-12-15(7-22,8-23)9-24/h1-12H2";
dbo:iupacName "tris[3-bromo-2,2-bis(bromomethyl)propyl] phosphate"@en;
dbo:pubchem "3015044"^^xsd:int;
dbo:smiles "C(C(CBr)(CBr)CBr)OP(=O)(OCC(CBr)(CBr)CBr)OCC(CBr)(CBr)CBr";
dbp:inchikey "BHYQWBKCXBXPKM-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "trisTBrnoC5y";
skos:prefLabel "tris(tribroomneopentyl)fosfaat"@nl.
chemische_stof:BHZWBQPHPLFZSV-UHFFFAOYSA-N dbo:casNumber "56634-95-8";
dbo:formula "C14H15Br2NO2";
dbo:inchi "InChI=1S/C14H15Br2NO2/c1-2-3-4-5-6-13(18)19-14-11(15)7-10(9-17)8-12(14)16/h7-8H,2-6H2,1H3";
dbo:iupacName "(2,6-dibromo-4-cyanophenyl) heptanoate"@en;
dbo:pubchem "62119"^^xsd:int;
dbo:smiles "CCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br";
dbp:inchikey "BHZWBQPHPLFZSV-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "BrOxnHpnat";
skos:prefLabel "bromoxynil heptanoaat"@nl.
chemische_stof:BIJNHUAPTJVVNQ-UHFFFAOYSA-N dbo:casNumber "5315-79-7", "63021-84-1";
dbo:formula "C16H10O";
dbo:inchi "InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H";
dbo:iupacName "Pyren-1-ol"@en;
dbo:pubchem "21387"^^xsd:int;
dbo:smiles "C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O";
dbp:inchikey "BIJNHUAPTJVVNQ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "1HOxPyr";
skos:prefLabel "1-hydroxypyreen"@nl.
chemische_stof:BIWJNBZANLAXMG-UHFFFAOYSA-N dbo:casNumber "12789-03-6", "17436-70-3", "22212-52-8", "26703-86-6", "28140-46-7", "28181-89-7", "33442-85-2", "39400-80-1", "5103-71-9", "5103-74-2", "52002-35-4", "52917-96-1", "53637-13-1", "57-74-9", "67672-92-8";
dbo:formula "C10H6Cl8";
dbo:inchi "InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2";
dbo:iupacName "1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene"@en;
dbo:pubchem "5993"^^xsd:int;
dbo:smiles "C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "BIWJNBZANLAXMG-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:altLabel "cis-chloordaan trans-chloordaan"@nl, "cis-chloordaan"@nl, "trans-chloordaan"@nl;
skos:closeMatch wise:CAS_5103-71-9, wise:CAS_5103-74-2, wise:CAS_57-74-9, chemische_stof:BIWJNBZANLAXMG-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_5103-71-9, wise:CAS_5103-74-2, wise:CAS_57-74-9, chemische_stof:BIWJNBZANLAXMG-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_5103-71-9, wise:CAS_5103-74-2, wise:CAS_57-74-9, chemische_stof:BIWJNBZANLAXMG-UHFFFAOYSA-N;
skos:notation "Cldn", "cCldn", "tCldn";
skos:prefLabel "chloordaan"@nl;
skos:semanticRelation wise:CAS_5103-71-9, wise:CAS_5103-74-2, wise:CAS_57-74-9, chemische_stof:BIWJNBZANLAXMG-UHFFFAOYSA-N.
chemische_stof:BIXZHMJUSMUDOQ-UHFFFAOYSA-N dbo:casNumber "58916-70-4", "99-30-9";
dbo:formula "C6H4Cl2N2O2";
dbo:inchi "InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2";
dbo:iupacName "2,6-Dichloro-4-nitroaniline"@en;
dbo:pubchem "7430"^^xsd:int;
dbo:smiles "C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]";
dbp:inchikey "BIXZHMJUSMUDOQ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:closeMatch wise:CAS_99-30-9, chemische_stof:BIXZHMJUSMUDOQ-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_99-30-9, chemische_stof:BIXZHMJUSMUDOQ-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_99-30-9, chemische_stof:BIXZHMJUSMUDOQ-UHFFFAOYSA-N;
skos:notation "26DCl4NO2An";
skos:prefLabel "2,6-dichloor-4-nitroaniline"@nl;
skos:semanticRelation wise:CAS_99-30-9, chemische_stof:BIXZHMJUSMUDOQ-UHFFFAOYSA-N.
chemische_stof:BJLRAKFWOUAROE-UHFFFAOYSA-N dbo:casNumber "2500-83-6", "38621-99-7";
dbo:formula "C12H16O2";
dbo:inchi "InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2,4,8-12H,3,5-6H2,1H3";
dbo:iupacName "8-tricyclo[5.2.1.02,6]dec-4-enyl acetate"@en;
dbo:pubchem "98478"^^xsd:int;
dbo:smiles "CC(=O)OC1CC2CC1C3C2CC=C3";
dbp:inchikey "BJLRAKFWOUAROE-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "DDPA";
skos:prefLabel "verdyl acetaat"@nl.
chemische_stof:BJNCSIWIMCWIMS-UHFFFAOYSA-N dbo:casNumber "141074-63-7";
dbo:formula "C15HF29O2";
dbo:inchi "InChI=1S/C15HF29O2/c16-2(17,1(45)46)3(18,19)4(20,21)5(22,23)6(24,25)7(26,27)8(28,29)9(30,31)10(32,33)11(34,35)12(36,37)13(38,39)14(40,41)15(42,43)44/h(H,45,46)";
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecanoic acid"@en;
dbo:pubchem "12731198"^^xsd:int;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O";
dbp:inchikey "BJNCSIWIMCWIMS-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "PFPeDA";
skos:prefLabel "perfluor-n-pentadecaanzuur"@nl.
chemische_stof:BJQHLKABXJIVAM-UHFFFAOYSA-N dbo:casNumber "117-81-7", "126639-29-0", "137718-37-7", "15495-94-0", "205180-59-2", "275818-89-8", "40120-69-2", "50885-87-5", "8033-53-2", "82208-43-3";
dbo:formula "C24H38O4";
dbo:inchi "InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3";
dbo:iupacName "bis(2-ethylhexyl) benzene-1,2-dicarboxylate"@en;
dbo:pubchem "8343"^^xsd:int;
dbo:smiles "CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC";
dbp:inchikey "BJQHLKABXJIVAM-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:altLabel "bis(2-ethylhexyl)ftalaat (DEHP)"@nl, "bis-(2-ethylhexyl)-ftalaat"@nl, "di(2-ethylhexyl)-ftalaat (dehp)"@nl;
skos:closeMatch wise:CAS_117-81-7, chemische_stof:BJQHLKABXJIVAM-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_117-81-7, chemische_stof:BJQHLKABXJIVAM-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_117-81-7, chemische_stof:BJQHLKABXJIVAM-UHFFFAOYSA-N;
skos:notation "DEHP";
skos:prefLabel "bis(2-ethylhexyl)ftalaat (dehp)"@nl;
skos:semanticRelation wise:CAS_117-81-7, chemische_stof:BJQHLKABXJIVAM-UHFFFAOYSA-N.
chemische_stof:BKAYSPSVVJBHHK-UHFFFAOYSA-N dbo:casNumber "14088-71-2";
dbo:formula "C16H14Cl2O";
dbo:inchi "InChI=1S/C16H14Cl2O/c17-14-7-3-12(4-8-14)16(19,11-1-2-11)13-5-9-15(18)10-6-13/h3-11,19H,1-2H2";
dbo:iupacName "bis(4-chlorophenyl)-cyclopropylmethanol"@en;
dbo:pubchem "26450"^^xsd:int;
dbo:smiles "C1CC1C(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O";
dbp:inchikey "BKAYSPSVVJBHHK-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "proclnl";
skos:prefLabel "proclonol"@nl.
chemische_stof:BKIMMITUMNQMOS-UHFFFAOYSA-N dbo:casNumber "111-84-2", "61193-19-9";
dbo:formula "C9H20";
dbo:inchi "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3";
dbo:iupacName "Nonane"@en;
dbo:pubchem "8141"^^xsd:int;
dbo:smiles "CCCCCCCCC";
dbp:inchikey "BKIMMITUMNQMOS-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:comment "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'"@nl;
rdfs:seeAlso ;
skos:altLabel "nonaan"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "C9a";
skos:prefLabel "n-nonaan"@nl.
chemische_stof:BKIXWRBZCQEZAQ-UHFFFAOYSA-N dbo:casNumber "91538-84-0";
dbo:formula "C12H2Cl6O";
dbo:inchi "InChI=1S/C12H2Cl6O/c13-3-1-4(14)6-5(2-3)19-12-7(6)8(15)9(16)10(17)11(12)18/h1-2H";
dbo:iupacName "1,2,3,4,7,9-HEXACHLORODIBENZOFURAN"@en;
dbo:pubchem "56262"^^xsd:int;
dbo:smiles "C1=C(C=C(C2=C1OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "BKIXWRBZCQEZAQ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "PCDF119";
skos:prefLabel "1,2,3,4,7,9-hexachloordibenzofuraan"@nl.
chemische_stof:BKVIYDNLLOSFOA-OIOBTWANSA-N dbo:casNumber "15064-65-0";
dbo:formula "Tl";
dbo:inchi "InChI=1S/Tl/i1-3";
dbo:iupacName "thallium-201"@en;
dbo:pubchem "5461982"^^xsd:int;
dbo:smiles "[Tl]";
dbp:inchikey "BKVIYDNLLOSFOA-OIOBTWANSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "Tl201";
skos:prefLabel "thallium 201"@nl.
chemische_stof:BKVIYDNLLOSFOA-RNFDNDRNSA-N dbo:casNumber "14913-50-9";
dbo:formula "Tl";
dbo:inchi "InChI=1S/Tl/i1+4";
dbo:iupacName "thallium-208"@en;
dbo:pubchem "6335611"^^xsd:int;
dbo:smiles "[Tl]";
dbp:inchikey "BKVIYDNLLOSFOA-RNFDNDRNSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "Tl208";
skos:prefLabel "thallium 208"@nl.
chemische_stof:BKVIYDNLLOSFOA-UHFFFAOYSA-N dbo:casNumber "113835-49-7", "7440-28-0", "82870-81-3";
dbo:formula "Tl";
dbo:inchi "InChI=1S/Tl";
dbo:iupacName "THALLIUM"@en;
dbo:pubchem "5359464"^^xsd:int;
dbo:smiles "[Tl]";
dbp:inchikey "BKVIYDNLLOSFOA-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:comment "VLAR II (D5) 'thallium en thalliumverbindingen, uitgedrukt als thallium'"@nl, "VLAR II bijl. 2.5.2 'thallium'"@nl, "VLAR II bijl. 4.4.2 'thallium en zijn verbindingen, uitgedrukt in Se'"@nl, "VLAR III (D3) 'thallium en de verbindingen daarvan, uitgedrukt als thallium (Tl)"@nl, "VLAR III (D3, diverse art) 'Tl'"@nl;
rdfs:seeAlso ;
skos:closeMatch wise:CAS_7440-28-0, chemische_stof:BKVIYDNLLOSFOA-UHFFFAOYSA-N;
skos:definition "thallium en thalliumverbindingen, uitgedrukt als thallium (Tl)"@nl;
skos:exactMatch wise:CAS_7440-28-0, chemische_stof:BKVIYDNLLOSFOA-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_7440-28-0, chemische_stof:BKVIYDNLLOSFOA-UHFFFAOYSA-N;
skos:notation "Tl";
skos:note "thallium en thalliumverbindingen, uitgedrukt als thallium (Tl)"@nl;
skos:prefLabel "thallium"@nl;
skos:semanticRelation wise:CAS_7440-28-0, chemische_stof:BKVIYDNLLOSFOA-UHFFFAOYSA-N.
chemische_stof:BKVIYDNLLOSFOA-YPZZEJLDSA-N dbo:casNumber "15720-57-7";
dbo:formula "Tl";
dbo:inchi "InChI=1S/Tl/i1-2";
dbo:iupacName "thallium-202"@en;
dbo:pubchem "6337071"^^xsd:int;
dbo:smiles "[Tl]";
dbp:inchikey "BKVIYDNLLOSFOA-YPZZEJLDSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "Tl202";
skos:prefLabel "thallium 202"@nl.
chemische_stof:BKVJOVPVLOJPKJ-UHFFFAOYSA-N dbo:casNumber "2497-06-5";
dbo:formula "C8H19O4PS3";
dbo:inchi "InChI=1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)15-7-8-16(9,10)6-3/h4-8H2,1-3H3";
dbo:iupacName "diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidenephosphorane"@en;
dbo:pubchem "17241"^^xsd:int;
dbo:smiles "CCOP(=S)(OCC)SCCS(=O)(=O)CC";
dbp:inchikey "BKVJOVPVLOJPKJ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "Dsftsfn";
skos:prefLabel "disulfoton-sulfon"@nl.
chemische_stof:BLFLLBZGZJTVJG-UHFFFAOYSA-N dbo:casNumber "71123-91-6", "94-09-7";
dbo:formula "C9H11NO2";
dbo:inchi "InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3";
dbo:iupacName "Ethyl 4-aminobenzoate"@en;
dbo:pubchem "2337"^^xsd:int;
dbo:smiles "CCOC(=O)C1=CC=C(C=C1)N";
dbp:inchikey "BLFLLBZGZJTVJG-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "benzcine";
skos:prefLabel "benzocaine"@nl.
chemische_stof:BLXVTZPGEOGTGG-UHFFFAOYSA-N dbo:casNumber "20427-84-3", "9016-45-9";
dbo:formula "C19H32O3";
dbo:inchi "InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)22-17-16-21-15-14-20/h10-13,20H,2-9,14-17H2,1H3";
dbo:iupacName "2-[2-(4-Nonylphenoxy)ethoxy]ethanol"@en;
dbo:pubchem "24773"^^xsd:int;
dbo:smiles "CCCCCCCCCC1=CC=C(C=C1)OCCOCCO";
dbp:inchikey "BLXVTZPGEOGTGG-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "nonylfenolmonoethoxylaat"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "224C9yfOxC2o", "NPEO1";
skos:prefLabel "2-(2-(4-nonylfenoxy)ethoxy)ethanol"@nl.
chemische_stof:BMIPMKQAAJKBKP-UHFFFAOYSA-N dbo:casNumber "137-17-7";
dbo:formula "C9H13N";
dbo:inchi "InChI=1S/C9H13N/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,10H2,1-3H3";
dbo:iupacName "2,4,5-Trimethylaniline"@en;
dbo:pubchem "8717"^^xsd:int;
dbo:smiles "CC1=CC(=C(C=C1C)N)C";
dbp:inchikey "BMIPMKQAAJKBKP-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "245TC1yAn";
skos:prefLabel "2,4,5-trimethylaniline"@nl.
chemische_stof:BMLIZLVNXIYGCK-UHFFFAOYSA-N dbo:casNumber "150-68-5";
dbo:formula "C9H11ClN2O";
dbo:inchi "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)";
dbo:iupacName "3-(4-Chlorophenyl)-1,1-dimethylurea"@en;
dbo:pubchem "8800"^^xsd:int;
dbo:smiles "CN(C)C(=O)NC1=CC=C(C=C1)Cl";
dbp:inchikey "BMLIZLVNXIYGCK-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:closeMatch wise:CAS_150-68-5, chemische_stof:BMLIZLVNXIYGCK-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_150-68-5, chemische_stof:BMLIZLVNXIYGCK-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_150-68-5, chemische_stof:BMLIZLVNXIYGCK-UHFFFAOYSA-N;
skos:notation "monrn";
skos:prefLabel "monuron"@nl;
skos:semanticRelation wise:CAS_150-68-5, chemische_stof:BMLIZLVNXIYGCK-UHFFFAOYSA-N.
chemische_stof:BMTAFVWTTFSTOG-UHFFFAOYSA-N dbo:casNumber "2008-41-5";
dbo:formula "C11H23NOS";
dbo:inchi "InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3";
dbo:iupacName "S-ethyl (bis(2-methylpropyl)amino)methanethioate"@en;
dbo:pubchem "16181"^^xsd:int;
dbo:smiles "CCSC(=O)N(CC(C)C)CC(C)C";
dbp:inchikey "BMTAFVWTTFSTOG-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "C4yat";
skos:prefLabel "butylaat"@nl.
chemische_stof:BMXXSXQVMCXGJM-UHFFFAOYSA-N dbo:casNumber "1893-33-0", "2448-68-2";
dbo:formula "C21H32Cl2FN3O2";
dbo:inchi "InChI=1S/C21H30FN3O2.2ClH/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25;;/h6-9H,1-5,10-16H2,(H2,23,27);2*1H";
dbo:iupacName "1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride"@en;
dbo:pubchem "17139"^^xsd:int;
dbo:smiles "C1CC[NH+](CC1)C2(CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N.[Cl-].[Cl-]";
dbp:inchikey "BMXXSXQVMCXGJM-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "pipprn";
skos:prefLabel "pipamperon"@nl.
chemische_stof:BNCADMBVWNPPIZ-UHFFFAOYSA-N dbo:casNumber "11098-24-1", "174805-33-5", "3089-11-0", "37331-82-1", "66565-50-2";
dbo:formula "C15H30N6O6";
dbo:inchi "InChI=1S/C15H30N6O6/c1-22-7-19(8-23-2)13-16-14(20(9-24-3)10-25-4)18-15(17-13)21(11-26-5)12-27-6/h7-12H2,1-6H3";
dbo:iupacName "N2,N2,N4,N4,N6,N6-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine"@en;
dbo:pubchem "62479"^^xsd:int;
dbo:smiles "COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC)COC";
dbp:inchikey "BNCADMBVWNPPIZ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "HxkC1oxC1yml";
skos:prefLabel "hexakis(methoxymethyl)melamine"@nl.
chemische_stof:BNIXVQGCZULYKV-UHFFFAOYSA-N dbo:casNumber "76-01-7";
dbo:formula "C2HCl5";
dbo:inchi "InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H";
dbo:iupacName "1,1,1,2,2-pentachloroethane"@en;
dbo:pubchem "6419"^^xsd:int;
dbo:smiles "C(C(Cl)(Cl)Cl)(Cl)Cl";
dbp:inchikey "BNIXVQGCZULYKV-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "PeClC2a";
skos:prefLabel "pentachloorethaan"@nl.
chemische_stof:BNWJOHGLIBDBOB-UHFFFAOYSA-N dbo:casNumber "607-91-0";
dbo:formula "C11H12O3";
dbo:inchi "InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3";
dbo:iupacName "4-methoxy-6-prop-2-enyl-1,3-benzodioxole"@en;
dbo:pubchem "4276"^^xsd:int;
dbo:smiles "COC1=CC(=CC2=C1OCO2)CC=C";
dbp:inchikey "BNWJOHGLIBDBOB-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "6all4C1ox13B";
skos:prefLabel "6-allyl-4-methoxy-1,3-benzodioxol"@nl.
chemische_stof:BODRLKRKPXBDBN-UHFFFAOYSA-N dbo:casNumber "140237-16-7", "201404-81-1", "3452-97-9";
dbo:formula "C9H20O";
dbo:inchi "InChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3";
dbo:iupacName "3,5,5-Trimethylhexan-1-ol"@en;
dbo:pubchem "18938"^^xsd:int;
dbo:smiles "CC(CCO)CC(C)(C)C";
dbp:inchikey "BODRLKRKPXBDBN-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "355TC1y1C6ol";
skos:prefLabel "3,5,5-trimethyl-1-hexanol"@nl.
chemische_stof:BOEGTKLJZSQCCD-UEKVPHQBSA-N dbo:casNumber "50370-12-2";
dbo:formula "C16H17N3O5S";
dbo:inchi "InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1";
dbo:iupacName "(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"@en;
dbo:pubchem "47965"^^xsd:int;
dbo:smiles "CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O";
dbp:inchikey "BOEGTKLJZSQCCD-UEKVPHQBSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "cefdxl";
skos:prefLabel "cefadroxil"@nl.
chemische_stof:BOFHKBLZOYVHSI-UHFFFAOYSA-N dbo:casNumber "299-86-5";
dbo:formula "C12H19ClNO3P";
dbo:inchi "InChI=1S/C12H19ClNO3P/c1-12(2,3)9-6-7-11(10(13)8-9)17-18(15,14-4)16-5/h6-8H,1-5H3,(H,14,15)";
dbo:iupacName "N-[(4-tert-butyl-2-chlorophenoxy)-methoxyphosphoryl]methanamine"@en;
dbo:pubchem "9300"^^xsd:int;
dbo:smiles "CC(C)(C)C1=CC(=C(C=C1)OP(=O)(NC)OC)Cl";
dbp:inchikey "BOFHKBLZOYVHSI-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "crfmt";
skos:prefLabel "crufomaat"@nl.
chemische_stof:BOSMZFBHAYFUBJ-UHFFFAOYSA-N dbo:casNumber "1330-78-5", "78-32-0";
dbo:formula "C21H21O4P";
dbo:inchi "InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3";
dbo:iupacName "tris(4-methylphenyl) phosphate"@en;
dbo:pubchem "6529"^^xsd:int;
dbo:smiles "CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C";
dbp:inchikey "BOSMZFBHAYFUBJ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:altLabel "tri-p-cresylfosfaat"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "TcsPO4", "TpcsPO4";
skos:prefLabel "tricresylfosfaat"@nl.
chemische_stof:BOTWFXYSPFMFNR-HMMYKYKNSA-N dbo:casNumber "102608-53-7";
dbo:formula "C20H40O";
dbo:inchi "InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+";
dbo:iupacName "['(E)-3,7,11,15-tetramethylhexadec-2-en-1-ol', '3,7,11,15-Tetramethylhexadec-2-en-1-ol']"@en;
dbo:pubchem "5366244"^^xsd:int;
dbo:smiles "CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C";
dbp:inchikey "BOTWFXYSPFMFNR-HMMYKYKNSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "371115T4C1y2";
skos:prefLabel "3,7,11,15-tetramethyl-2-hexadecen-1-ol"@nl.
chemische_stof:BOTWFXYSPFMFNR-PYDDKJGSSA-N dbo:casNumber "150-86-7", "5016-81-9", "7541-49-3";
dbo:formula "C20H40O";
dbo:inchi "InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1";
dbo:iupacName "(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol"@en;
dbo:pubchem "5280435"^^xsd:int;
dbo:smiles "CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C";
dbp:inchikey "BOTWFXYSPFMFNR-PYDDKJGSSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "fytl";
skos:prefLabel "fytol"@nl.
chemische_stof:BOUGCJDAQLKBQH-UHFFFAOYSA-N dbo:casNumber "2837-89-0";
dbo:formula "C2HClF4";
dbo:inchi "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H";
dbo:iupacName "2-CHLORO-1,1,1,2-TETRAFLUOROETHANE"@en;
dbo:pubchem "17822"^^xsd:int;
dbo:smiles "C(C(F)(F)F)(F)Cl";
dbp:inchikey "BOUGCJDAQLKBQH-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "HCFK124";
skos:prefLabel "2-chloor-1,1,1,2-tetrafluorethaan"@nl.
chemische_stof:BPFYOAJNDMUVBL-UHFFFAOYSA-N dbo:casNumber "115550-35-1";
dbo:formula "C17H19FN4O4";
dbo:inchi "InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)";
dbo:iupacName "7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid"@en;
dbo:pubchem "60651"^^xsd:int;
dbo:smiles "CN1CCN(CC1)C2=C(C=C3C4=C2OCN(N4C=C(C3=O)C(=O)O)C)F";
dbp:inchikey "BPFYOAJNDMUVBL-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:prefLabel "marbofloxacine"@nl.
chemische_stof:BPMVRAQIQQEBLN-UHFFFAOYSA-N dbo:casNumber "39310-25-3", "6804-07-5";
dbo:formula "C11H10N4O4";
dbo:inchi "InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7,18H,1H3";
dbo:iupacName "['methyl N-[(E)-(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methyl]iminocarbamate', 'methyl N-[(Z)-(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methyl]iminocarbamate', 'methyl N-[(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methylimino]carbamate']"@en;
dbo:pubchem "2553"^^xsd:int;
dbo:smiles "COC(=O)N=NC=C1C=[N+](C2=CC=CC=C2N1O)[O-]";
dbp:inchikey "BPMVRAQIQQEBLN-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "carbdx";
skos:prefLabel "carbadox"@nl.
chemische_stof:BPRHUIZQVSMCRT-YXWZHEERSA-N dbo:casNumber "287714-41-4";
dbo:formula "C22H28FN3O6S";
dbo:inchi "InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17+/m0/s1";
dbo:iupacName "(E,3R,5R)-7-[4-(4-fluorophenyl)-2-(methyl-methylsulfonylamino)-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid"@en;
dbo:pubchem "6439133"^^xsd:int;
dbo:smiles "CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C";
dbp:inchikey "BPRHUIZQVSMCRT-YXWZHEERSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "rosvstne";
skos:prefLabel "rosuvastatine"@nl.
chemische_stof:BPRYUXCVCCNUFE-UHFFFAOYSA-N dbo:casNumber "527-60-6";
dbo:formula "C9H12O";
dbo:inchi "InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3";
dbo:iupacName "2,4,6-TRIMETHYLPHENOL"@en;
dbo:pubchem "10698"^^xsd:int;
dbo:smiles "CC1=CC(=C(C(=C1)C)O)C";
dbp:inchikey "BPRYUXCVCCNUFE-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "246TC1yFol";
skos:prefLabel "2,4,6-trimethylfenol"@nl.
chemische_stof:BQCADISMDOOEFD-AKLPVKDBSA-N dbo:casNumber "15760-04-0";
dbo:formula "Ag";
dbo:inchi "InChI=1S/Ag/i1+3";
dbo:iupacName "silver-111"@en;
dbo:pubchem "161148"^^xsd:int;
dbo:smiles "[Ag]";
dbp:inchikey "BQCADISMDOOEFD-AKLPVKDBSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "Ag111";
skos:prefLabel "zilver 111"@nl.
chemische_stof:BQCADISMDOOEFD-UHFFFAOYSA-N dbo:casNumber "12553-68-3", "15046-91-0", "7440-22-4", "87354-45-8", "87370-84-1";
dbo:formula "Ag";
dbo:inchi "InChI=1S/Ag";
dbo:iupacName "Silver"@en;
dbo:pubchem "23954"^^xsd:int;
dbo:smiles "[Ag]";
dbp:inchikey "BQCADISMDOOEFD-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:closeMatch wise:CAS_7440-22-4, chemische_stof:BQCADISMDOOEFD-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_7440-22-4, chemische_stof:BQCADISMDOOEFD-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_7440-22-4, chemische_stof:BQCADISMDOOEFD-UHFFFAOYSA-N;
skos:notation "Ag";
skos:prefLabel "zilver"@nl;
skos:semanticRelation wise:CAS_7440-22-4, chemische_stof:BQCADISMDOOEFD-UHFFFAOYSA-N.
chemische_stof:BQENMISTWGTJIJ-UHFFFAOYSA-N dbo:casNumber "70424-69-0";
dbo:formula "C12H5Cl5";
dbo:inchi "InChI=1S/C12H5Cl5/c13-7-3-1-2-6(4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H";
dbo:iupacName "1,2,3,4-tetrachloro-5-(3-chlorophenyl)benzene"@en;
dbo:pubchem "51075"^^xsd:int;
dbo:smiles "C1=CC(=CC(=C1)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl";
dbp:inchikey "BQENMISTWGTJIJ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "PCB107";
skos:prefLabel "2,3,3',4,5-pentachloorbifenyl"@nl.
chemische_stof:BQFCCUSDZLKBJG-UHFFFAOYSA-N dbo:casNumber "42740-50-1";
dbo:formula "C12H2Cl8";
dbo:inchi "InChI=1S/C12H2Cl8/c13-4-2-6(15)9(17)11(19)7(4)3-1-5(14)10(18)12(20)8(3)16/h1-2H";
dbo:iupacName "1,2,3,4-tetrachloro-5-(2,3,4,6-tetrachlorophenyl)benzene"@en;
dbo:pubchem "39253"^^xsd:int;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl";
dbp:inchikey "BQFCCUSDZLKBJG-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "PCB196";
skos:prefLabel "2,2',3,3',4,4',5,6'-octachloorbifenyl"@nl.
chemische_stof:BQOFWKZOCNGFEC-UHFFFAOYSA-N dbo:casNumber "116783-27-8", "13466-78-9", "74806-04-5";
dbo:formula "C10H16";
dbo:inchi "InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3";
dbo:iupacName "3,7,7-trimethylbicyclo[4.1.0]hept-3-ene"@en;
dbo:pubchem "26049"^^xsd:int;
dbo:smiles "CC1=CCC2C(C1)C2(C)C";
dbp:inchikey "BQOFWKZOCNGFEC-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "3carn";
skos:prefLabel "3-careen"@nl.
chemische_stof:BQYJATMQXGBDHF-UHFFFAOYSA-N dbo:casNumber "119446-68-3";
dbo:formula "C19H17Cl2N3O3";
dbo:inchi "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3";
dbo:iupacName "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole"@en;
dbo:pubchem "86173"^^xsd:int;
dbo:smiles "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl";
dbp:inchikey "BQYJATMQXGBDHF-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "Dfncnzl";
skos:prefLabel "difenoconazool"@nl.
chemische_stof:BRCGUTSVMPKEKH-UHFFFAOYSA-N dbo:casNumber "7529-52-4";
dbo:formula "C12H22Sn";
dbo:inchi "InChI=1S/2C6H11.Sn/c2*1-2-4-6-5-3-1;/h2*1H,2-6H2;";
dbo:iupacName "dicyclohexyltin"@en;
dbo:pubchem "424215"^^xsd:int;
dbo:smiles "C1CCC(CC1)[Sn]C2CCCCC2";
dbp:inchikey "BRCGUTSVMPKEKH-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:prefLabel "dicyclohexyltin"@nl.
chemische_stof:BRLQWZUYTZBJKN-UHFFFAOYSA-N dbo:casNumber "106-89-8", "109351-74-8", "13403-37-7", "36250-81-4", "56227-39-5", "6806-86-6", "9009-12-5";
dbo:formula "C3H5ClO";
dbo:inchi "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2";
dbo:iupacName "2-(Chloromethyl)oxirane"@en;
dbo:pubchem "7835"^^xsd:int;
dbo:smiles "C1C(O1)CCl";
dbp:inchikey "BRLQWZUYTZBJKN-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl;
rdfs:seeAlso ;
skos:altLabel "1-chloor-2,3-epoxypropaan(epichloorhydrine)"@nl, "epichloorhydrine"@nl;
skos:closeMatch wise:CAS_106-89-8, chemische_stof:BRLQWZUYTZBJKN-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_106-89-8, chemische_stof:BRLQWZUYTZBJKN-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_106-89-8, chemische_stof:BRLQWZUYTZBJKN-UHFFFAOYSA-N;
skos:notation "epClhdne";
skos:prefLabel "1-chloor-2,3-epoxypropaan (epichloorhydrine)"@nl;
skos:semanticRelation wise:CAS_106-89-8, chemische_stof:BRLQWZUYTZBJKN-UHFFFAOYSA-N.
chemische_stof:BRPSAOUFIJSKOT-UHFFFAOYSA-N dbo:casNumber "27134-27-6", "608-27-5";
dbo:formula "C6H5Cl2N";
dbo:inchi "InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2";
dbo:iupacName "2,3-Dichloroaniline"@en;
dbo:pubchem "11844"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)N";
dbp:inchikey "BRPSAOUFIJSKOT-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:closeMatch wise:CAS_608-27-5, chemische_stof:BRPSAOUFIJSKOT-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_608-27-5, chemische_stof:BRPSAOUFIJSKOT-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_608-27-5, chemische_stof:BRPSAOUFIJSKOT-UHFFFAOYSA-N;
skos:notation "23DClAn";
skos:prefLabel "2,3-dichlooraniline"@nl;
skos:semanticRelation wise:CAS_608-27-5, chemische_stof:BRPSAOUFIJSKOT-UHFFFAOYSA-N.
chemische_stof:BRWIZMBXBAOCCF-UHFFFAOYSA-N dbo:casNumber "79-19-6";
dbo:formula "CH5N3S";
dbo:inchi "InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)";
dbo:iupacName "aminothiourea"@en;
dbo:pubchem "6583"^^xsd:int;
dbo:smiles "C(=NN)(N)S";
dbp:inchikey "BRWIZMBXBAOCCF-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "tosmcbzde";
skos:prefLabel "thiosemicarbazide"@nl.
chemische_stof:BSBSDQUZDZXGFN-UHFFFAOYSA-N dbo:casNumber "115-93-5";
dbo:formula "C8H12NO5PS2";
dbo:inchi "InChI=1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11)";
dbo:iupacName "4-dimethoxyphosphinothioyloxybenzenesulfonamide"@en;
dbo:pubchem "8293"^^xsd:int;
dbo:smiles "COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N";
dbp:inchikey "BSBSDQUZDZXGFN-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "cytoat";
skos:prefLabel "cythioaat"@nl.
chemische_stof:BSKHPKMHTQYZBB-UHFFFAOYSA-N dbo:casNumber "109-06-8", "45505-34-8", "52962-96-6", "82005-07-0";
dbo:formula "C6H7N";
dbo:inchi "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3";
dbo:iupacName "2-Methylpyridine"@en;
dbo:pubchem "7975"^^xsd:int;
dbo:smiles "CC1=CC=CC=N1";
dbp:inchikey "BSKHPKMHTQYZBB-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "2C1yprdne";
skos:prefLabel "2-methylpyridine"@nl.
chemische_stof:BSWWXRFVMJHFBN-UHFFFAOYSA-N dbo:casNumber "118-79-6";
dbo:formula "C6H3Br3O";
dbo:inchi "InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H";
dbo:iupacName "2,4,6-Tribromophenol"@en;
dbo:pubchem "1483"^^xsd:int;
dbo:smiles "C1=C(C=C(C(=C1Br)O)Br)Br";
dbp:inchikey "BSWWXRFVMJHFBN-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "246TBrFol";
skos:prefLabel "2,4,6-tribroomfenol"@nl.
chemische_stof:BSYNRYMUTXBXSQ-UHFFFAOYSA-N dbo:casNumber "11126-35-5", "11126-37-7", "2349-94-2", "26914-13-6", "50-78-2", "98201-60-6";
dbo:formula "C9H8O4";
dbo:inchi "InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)";
dbo:iupacName "2-acetyloxybenzoic acid"@en;
dbo:pubchem "2244"^^xsd:int;
dbo:smiles "CC(=O)OC1=CC=CC=C1C(=O)O";
dbp:inchikey "BSYNRYMUTXBXSQ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "asprne";
skos:prefLabel "aspirine"@nl.
chemische_stof:BTAGRXWGMYTPBY-UHFFFAOYSA-N dbo:casNumber "11096-82-5", "38380-07-3";
dbo:formula "C12H4Cl6";
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/h1-4H";
dbo:iupacName "1,2,3-trichloro-4-(2,3,4-trichlorophenyl)benzene"@en;
dbo:pubchem "38018"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "BTAGRXWGMYTPBY-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "PCB128";
skos:prefLabel "2,2',3,3',4,4'-hexachloorbifenyl"@nl.
chemische_stof:BTANRVKWQNVYAZ-UHFFFAOYSA-N dbo:casNumber "15892-23-6", "4221-99-2", "78-92-2";
dbo:formula "C4H10O";
dbo:inchi "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3";
dbo:iupacName "Butan-2-ol"@en;
dbo:pubchem "6568"^^xsd:int;
dbo:smiles "CCC(C)O";
dbp:inchikey "BTANRVKWQNVYAZ-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:comment "VLAR II bijl. 4.4.2 'alkylalcohol'"@nl;
rdfs:seeAlso ;
skos:altLabel "s-butanol"@nl;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "2C4ol";
skos:prefLabel "2-butanol"@nl.
chemische_stof:BTFJIXJJCSYFAL-UHFFFAOYSA-N dbo:casNumber "28679-05-2", "629-96-9";
dbo:formula "C20H42O";
dbo:inchi "InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3";
dbo:iupacName "Icosan-1-ol"@en;
dbo:pubchem "12404"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCO";
dbp:inchikey "BTFJIXJJCSYFAL-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "1C20ol";
skos:prefLabel "1-eicosanol"@nl.
chemische_stof:BTFQKIATRPGRBS-UHFFFAOYSA-N dbo:casNumber "529-20-4";
dbo:formula "C8H8O";
dbo:inchi "InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3";
dbo:iupacName "2-Methylbenzaldehyde"@en;
dbo:pubchem "10722"^^xsd:int;
dbo:smiles "CC1=CC=CC=C1C=O";
dbp:inchikey "BTFQKIATRPGRBS-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "2C1yBenAh";
skos:prefLabel "2-methyl-benzaldehyde"@nl.
chemische_stof:BTGRAWJCKBQKAO-UHFFFAOYSA-N dbo:casNumber "111-69-3", "68411-90-5", "68511-79-5";
dbo:formula "C6H8N2";
dbo:inchi "InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2";
dbo:iupacName "Hexanedinitrile"@en;
dbo:pubchem "8128"^^xsd:int;
dbo:smiles "C(CCC#N)CC#N";
dbp:inchikey "BTGRAWJCKBQKAO-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "adpntl";
skos:prefLabel "adiponitril"@nl.
chemische_stof:BTJIUGUIPKRLHP-UHFFFAOYSA-N dbo:casNumber "100-02-7";
dbo:formula "C6H5NO3";
dbo:inchi "InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H";
dbo:iupacName "4-Nitrophenol"@en;
dbo:pubchem "980"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1[N+](=O)[O-])O";
dbp:inchikey "BTJIUGUIPKRLHP-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug, skos:Concept;
rdfs:seeAlso ;
skos:closeMatch wise:CAS_100-02-7, chemische_stof:BTJIUGUIPKRLHP-UHFFFAOYSA-N;
skos:exactMatch wise:CAS_100-02-7, chemische_stof:BTJIUGUIPKRLHP-UHFFFAOYSA-N;
skos:inScheme conceptscheme:chemische_stof;
skos:mappingRelation wise:CAS_100-02-7, chemische_stof:BTJIUGUIPKRLHP-UHFFFAOYSA-N;
skos:notation "4NO2Fol";
skos:prefLabel "4-nitrofenol"@nl;
skos:semanticRelation wise:CAS_100-02-7, chemische_stof:BTJIUGUIPKRLHP-UHFFFAOYSA-N.
chemische_stof:BTOCFTAWZMMTNB-UHFFFAOYSA-N dbo:casNumber "41411-63-6";
dbo:formula "C12H4Cl6";
dbo:inchi "InChI=1S/C12H4Cl6/c13-6-3-1-5(2-4-6)7-8(14)10(16)12(18)11(17)9(7)15/h1-4H";
dbo:iupacName "1,2,3,4,5-pentachloro-6-(4-chlorophenyl)benzene"@en;
dbo:pubchem "63077"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "BTOCFTAWZMMTNB-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso ;
skos:inScheme conceptscheme:chemische_stof;
skos:notation "PCB166";
skos:prefLabel "2,3,4,4',5,6-hexachloorbifenyl"@nl.
chemische_stof:BTZVKSVLFLRBRE-UHFFFAOYSA-N dbo:casNumber "70657-70-4";
dbo:formula "C6H12O3";
dbo:inchi "InChI=1S/C6H12O3/c1-5(8-3)4-9-6(2)7/h5H,4H2,1-3H3";
dbo:iupacName "2-Methoxypropyl acetate"@en;
dbo:pubchem "51132"^^xsd:int;
dbo:smiles "CC(COC(=O)C)OC";
dbp:inchikey "BTZVKSVLFLRBRE-UHFFFAOYSA-N";
a dbo:ChemicalCompound, dbo:ChemicalSubstance, dbo:Drug;
rdfs:seeAlso