(Q27181214)

Clopidogrelum [Latin] (English)

10 October 2016

chemical formula

C₁₆H₁₆ClNO₂S

1 reference

Clopidogrelum [Latin] (English)

10 October 2016

canonical SMILES

COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3

1 reference

Clopidogrelum [Latin] (English)

InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3

10 October 2016

Identifiers

InChI

1 reference

Clopidogrelum [Latin] (English)

10 October 2016

2 references

Clopidogrelum [Latin] (English)

CAS (formerly Chemical Abstracts Service)

10 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

90055-48-4

1 reference

stated in

25 January 2022

1 reference

(±)-Clopidogrel (English)

10 October 2016

2 references

Clopidogrelum [Latin] (English)

10 October 2016

ChEBI ID

103977

mapping relation type

2 references

2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid methyl ester (English)

10 October 2016

International Chemical Identifier

InChI

InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3

1 reference

CHEMBL1333662 (English)

10 October 2016

2 references

inferred from InChIKey

splash10-0230-0935000000-88f82034b7c68c075892

1 reference

MassBank accession ID

SM853101

0 references

SPLASH

0 references

DSSTox substance ID

DTXSID70861221

1 reference

Human Metabolome Database ID

HMDB0247631

2 references

based on heuristic

inferred from InChIKey

UNII

MX75HY8K68

1 reference