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

HCID 4129546

Completing data — usually done within a minute

Basic information

CAS
90055-55-3
Standard SMILES
O=C(O)C(c1ccccc1Cl)N1CCc2sccc2C1
InChIKey
DCASRSISIKYPDD-UHFFFAOYSA-N
Molecular formula
C15H14ClNO2S
Average molar mass
307.8 g/mol
Monoisotopic mass
307.0433776

Names & identifiers

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

Names & synonyms

90055-55-3rac-Clopidogrel Carboxylic Acid2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acidClopidogrel Acid RacemateQ3XP47LJ3XSCHEMBL364610rac-Clopidogrel EP Impurity ACHEMBL3113411SCHEMBL13403893(R,S)-Clopidogrel (free acid)
Show more names
DCASRSISIKYPDD-UHFFFAOYSA-NClopidogrel Carboxylic Acid, rac-DTXSID301144644QDA05555MFCD09832915STL483386AKOS030241522Thieno[3,2-c]pyridine-5(4H)-acetic acid,a-(2-chlorophenyl)-6,7-dihydro-

Database identifiers

CAS
90055-55-3
PubChem CID
4129546
DTXSID
DTXSID301144644
ChEMBL
CHEMBL3113411
ChEBI
CHEBI:83504
UNII
Q3XP47LJ3X

Properties

Computed structural propertiesFilling in

XLogP
1.1
Topological polar surface area
68.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
20

Experimental & physicochemical properties

Collision Cross Section164.07 Ų [M+H]+

Chemistry & industry

Uses & manufacturing

Use ClassificationPharmaceuticals -> Platelet aggregation inhibitors -> Transformation products

Suppliers19 total

济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]

Related reactions

6 records

Compound notes

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