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90055-55-3

90055-55-3 structural image
Product Name: rac-Clopidogrel Carboxylic Acid
Formula: C15H14ClNO2S
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 164.07 Ų [M+H]+

COMPUTED DESCRIPTORS

Molecular Weight 307.8 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 307.0433776 g/mol
Monoisotopic Mass 307.0433776 g/mol
Topological Polar Surface Area 68.8 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 368
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Clopidogrel carboxylic acid is 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. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a member of monochlorobenzenes, a thienopyridine, a monocarboxylic acid and a tertiary amino compound.