U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H16ClNO2S
Molecular Weight 309.811
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL (2S)-2-(2-CHLOROPHENYL)-2-((2-(THIOPHEN-2-YL)ETHYL)AMINO)ACETATE

SMILES

[H][C@@](NCCC1=CC=CS1)(C(=O)OC)C2=C(Cl)C=CC=C2

InChI

InChIKey=PAOGEKGFTGONII-AWEZNQCLSA-N
InChI=1S/C15H16ClNO2S/c1-19-15(18)14(12-6-2-3-7-13(12)16)17-9-8-11-5-4-10-20-11/h2-7,10,14,17H,8-9H2,1H3/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H16ClNO2S
Molecular Weight 309.811
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:59:10 GMT 2023
Edited
by admin
on Sat Dec 16 18:59:10 GMT 2023
Record UNII
K3GU7K9HP3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL (2S)-2-(2-CHLOROPHENYL)-2-((2-(THIOPHEN-2-YL)ETHYL)AMINO)ACETATE
Systematic Name English
(+)-(S)-METHYL .ALPHA.-((2-(2-THIENYL)ETHYL)AMINO)-.ALPHA.-(2-CHLOROPHENYL)ACETATE
Systematic Name English
CLOPIDOGREL BESILATE IMPURITY F [EP IMPURITY]
Common Name English
BENZENEACETIC ACID, 2-CHLORO-.ALPHA.-((2-(2-THIENYL)ETHYL)AMINO)-, METHYL ESTER, (.ALPHA.S)-
Systematic Name English
(S)-METHYL .ALPHA.-((2-(THIEN-2-YL)ETHYL)AMINO)-.ALPHA.-(2-CHLOROPHENYL)ACETATE
Systematic Name English
CLOPIDOGREL HYDROCHLORIDE IMPURITY F [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
141109-20-8
Created by admin on Sat Dec 16 18:59:11 GMT 2023 , Edited by admin on Sat Dec 16 18:59:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID10455961
Created by admin on Sat Dec 16 18:59:11 GMT 2023 , Edited by admin on Sat Dec 16 18:59:11 GMT 2023
PRIMARY
FDA UNII
K3GU7K9HP3
Created by admin on Sat Dec 16 18:59:11 GMT 2023 , Edited by admin on Sat Dec 16 18:59:11 GMT 2023
PRIMARY
PUBCHEM
11120447
Created by admin on Sat Dec 16 18:59:11 GMT 2023 , Edited by admin on Sat Dec 16 18:59:11 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP