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Clopidogrel carboxylic acid

CAT: 0013-GTR19228095-01Size: 1 mgDry Ice: NoHazardous: No
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Description
Clopidogrel Related Compound A (CAS 144457-28-3) is a key reference standard used in life science research. It is essential for analytical studies, including in vitro metabolism and pharmacokinetic investigations, to understand the pharmacologic profile of clopidogrel and its derivatives.
CAS Number
144457-28-3
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
OC (=O) [C@@H] (N1CCc2sccc2C1) c1ccccc1Cl
Molecular Formula
C15H14ClNO2S
Molecular Weight
307.79
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Clopidogrel carboxylic acid

carboxylic acid derivative clopidogrel metabolite; structure in first source

CAS Number144457-28-3
PubChem CID9861403
IUPAC Name(2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
Molecular FormulaC15H14ClNO2S
Molecular Weight307.8
XLogP1.1
Topological Polar Surface Area68.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity368
SMILES
C1CN(CC2=C1SC=C2)[C@@H](C3=CC=CC=C3Cl)C(=O)O
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)/t14-/m0/s1
InChIKey
DCASRSISIKYPDD-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of Clopidogrel carboxylic acid
CAS: 144457-28-3
CID: 9861403
Formula: C15H14ClNO2S
MW: 307.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight307.8
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass307.0433776
Monoisotopic Mass307.0433776
Topological Polar Surface Area68.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity368
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-141749B-01Clopidogrel carboxylic acid (hydrochloride)
T36112-01Clopidogrel Carboxylic Acid hydrochloride
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HY-141749ASClopidogrel carboxylic acid-d4
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