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Clopidogrel

CAT: 0926-FM61519-03Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-FM61519-03Size:250 mg
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CAS Number
113665-84-2
Synonyms
Methyl (2S) -2- (2-chlorophenyl) -2- (9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-yl) acetate
MDL Number
MFCD05662337
Smiles
COC (=O) [C@H] (C1=CC=CC=C1Cl) N2CCC3=C (C2) C=CS3
Molecular Formula
C16H16ClNO2S
Molecular Weight
321.82 g/mol
Controlled
No

Chemical Information

Clopidogrel

Clopidogrel is a thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group, the methylene hydrogen of which is replaced by a methoxycarbonyl group (the S enantiomer). A P2Y12 receptor antagonist, it is used to inhibit blood clots and prevent heart attacks. It has a role as an anticoagulant, a platelet aggregation inhibitor and a P2Y12 receptor antagonist. It is a methyl ester, a thienopyridine and a member of monochlorobenzenes. It is functionally related to a ticlopidine.

CAS Number113665-84-2
PubChem CID60606
IUPAC Namemethyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
Molecular FormulaC16H16ClNO2S
Molecular Weight321.8
XLogP3.8
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity381
SMILES
COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3
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/t15-/m0/s1
InChIKey
GKTWGGQPFAXNFI-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Clopidogrel
CAS: 113665-84-2
CID: 60606
Formula: C16H16ClNO2S
MW: 321.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.8
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass321.0590276
Monoisotopic Mass321.0590276
Topological Polar Surface Area57.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity381
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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