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ChEBI
> Main
CHEBI:83504 - clopidogrel carboxylic acid
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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(4
H
)-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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Molfile
Formula
C15H14ClNO2S
Net Charge
0
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 (Br
o
nsted base).
(via
oxoacid
)
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted 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.
View more via ChEBI Ontology
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(4
H
)-yl)acetic acid
Registry Number
Type
Source
14366675
Reaxys Registry Number
Reaxys
Citations
Types
Sources
19739245
PubMed citation
Europe PMC
22706585
PubMed citation
Europe PMC
24670351
PubMed citation
Europe PMC
Last Modified
27 August 2015