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Details

Stereochemistry RACEMIC
Molecular Formula C16H16ClNO2S
Molecular Weight 321.822
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl α-(2-chlorophenyl)-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-acetate

SMILES

COC(=O)C(N1CCC2=C(C1)SC=C2)C3=C(Cl)C=CC=C3

InChI

InChIKey=ZEIGZKQSYIWMTR-UHFFFAOYSA-N
InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-11-7-9-21-14(11)10-18/h2-5,7,9,15H,6,8,10H2,1H3

HIDE SMILES / InChI
Molecular Formula C16H16ClNO2S
Molecular Weight 321.822
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:34:11 UTC 2023
Edited
by admin
on Sat Dec 16 18:34:11 UTC 2023
Record UNII
M3CHA6RU6P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl α-(2-chlorophenyl)-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-acetate
Systematic Name English
CLOPIDOGREL HYDROGEN SULFATE IMPURITY B & C [EP IMPURITY]
Common Name English
CLOPIDOGREL BESILATE IMPURITY B & C [EP IMPURITY]
Common Name English
Thieno[2,3-c]pyridine-6(5H)-acetic acid, α-(2-chlorophenyl)-4,7-dihydro-, methyl ester
Systematic Name English
CLOPIDOGREL HYDROCHLORIDE IMPURITY B & C [EP IMPURITY]
Common Name English
CLOPIDOGREL RELATED COMPOUND B [USP IMPURITY]
Common Name English
Thieno[2,3-c]pyridine-6(5H)-acetic acid, α-(2-chlorophenyl)-4,7-dihydro-, methyl ester, (±)-
Systematic Name English
Code System Code Type Description
PUBCHEM
46781055
Created by admin on Sat Dec 16 18:34:12 UTC 2023 , Edited by admin on Sat Dec 16 18:34:12 UTC 2023
PRIMARY
CAS
144457-43-2
Created by admin on Sat Dec 16 18:34:12 UTC 2023 , Edited by admin on Sat Dec 16 18:34:12 UTC 2023
PRIMARY
EPA CompTox
DTXSID40675776
Created by admin on Sat Dec 16 18:34:12 UTC 2023 , Edited by admin on Sat Dec 16 18:34:12 UTC 2023
PRIMARY
FDA UNII
M3CHA6RU6P
Created by admin on Sat Dec 16 18:34:12 UTC 2023 , Edited by admin on Sat Dec 16 18:34:12 UTC 2023
PRIMARY
Related Record Type Details
Structure of Methyl α-(2-chlorophenyl)-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-acetate hydrochloride
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of CLOPIDOGREL HYDROCHLORIDE
PARENT -> IMPURITY
Structure of CLOPIDOGREL BESYLATE
PARENT -> IMPURITY
Structure of CLOPIDOGREL BISULFATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
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