(Q27236838)

clopidogrel thiolactone (English)

13 October 2016

chemical formula

C₁₆H₁₆ClNO₃S

1 reference

clopidogrel thiolactone (English)

13 October 2016

canonical SMILES

COC(=O)C(C1=CC=CC=C1Cl)N2CCC3C(=CC(=O)S3)C2

1 reference

clopidogrel thiolactone (English)

13 October 2016

isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3C(=CC(=O)S3)C2

1 reference

clopidogrel thiolactone (English)

InChI=1S/C16H16ClNO3S/c1-21-16(20)15(11-4-2-3-5-12(11)17)18-7-6-13-10(9-18)8-14(19)22-13/h2-5,8,13,15H,6-7,9H2,1H3/t13?,15-/m0/s1

13 October 2016

Identifiers

InChI

1 reference

clopidogrel thiolactone (English)

JBSAZVIMJUOBNB-WUJWULDRSA-N

13 October 2016

InChIKey

1 reference

Global Substance Registration System

clopidogrel thiolactone (English)

13 October 2016

1 reference

UNII

0IX303KU54

2-oxo-clopidogrel (English)

13 October 2016

1 reference

Methyl (2S)-(2-chlorophenyl)(2-oxo-2,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5(4H)-yl)acetate (English)

13 October 2016

1 reference

clopidogrel thiolactone (English)

13 October 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

CLOPIDOGREL THIOLACTONE (English)

13 October 2016

1 reference

1 reference

DSSTOX compound identifier

DTXCID10669480

0 references

Human Metabolome Database ID

HMDB0013929

1 reference

based on heuristic

inferred from InChIKey

UNII

0IX303KU54

1 reference

stated in

Global Substance Registration System

UNII

0IX303KU54

2-oxo-clopidogrel (English)