clopidogrel carboxylic acid (CHEBI:83504)

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ChEBI Name	clopidogrel carboxylic acid

ChEBI ID	CHEBI:83504

Definition	A thienopyridine that is 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-ylacetic acid substituted by a 2-chlorophenyl group at position 2. It is a metabolite of the drug clopidogrel.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C15H14ClNO2S

Net Charge

Average Mass

307.79500

Monoisotopic Mass

307.04338

InChI

InChI=1S/C15H14ClNO2S/c16-12-4-2-1-3-11(12)14(15(18)19)17-7-5-13-10(9-17)6-8-20-13/h1-4,6,8,14H,5,7,9H2,(H,18,19)

InChIKey

DCASRSISIKYPDD-UHFFFAOYSA-N

SMILES

OC(=O)C(N1CCc2sccc2C1)c1ccccc1Cl

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	drug metabolite marine xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.

ChEBI Ontology
Outgoing	clopidogrel carboxylic acid (CHEBI:83504) has role drug metabolite (CHEBI:49103) clopidogrel carboxylic acid (CHEBI:83504) has role marine xenobiotic metabolite (CHEBI:83399) clopidogrel carboxylic acid (CHEBI:83504) is a monocarboxylic acid (CHEBI:25384) clopidogrel carboxylic acid (CHEBI:83504) is a monochlorobenzenes (CHEBI:83403) clopidogrel carboxylic acid (CHEBI:83504) is a tertiary amino compound (CHEBI:50996) clopidogrel carboxylic acid (CHEBI:83504) is a thienopyridine (CHEBI:37942)

IUPAC Name

(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid

Registry Number	Type	Source
14366675	Reaxys Registry Number	Reaxys

Last Modified

27 August 2015