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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16ClNO5S2
Molecular Weight 401.885
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

COC(=O)[C@@H](N1CCC2=C(C1)C=C(S2)S(O)(=O)=O)C3=C(Cl)C=CC=C3

InChI

InChIKey=YMPHZRZZMLUNKA-HNNXBMFYSA-N
InChI=1S/C16H16ClNO5S2/c1-23-16(19)15(11-4-2-3-5-12(11)17)18-7-6-13-10(9-18)8-14(24-13)25(20,21)22/h2-5,8,15H,6-7,9H2,1H3,(H,20,21,22)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H16ClNO5S2
Molecular Weight 401.885
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 19:47:00 GMT 2023
Edited
by admin
on Sat Dec 16 19:47:00 GMT 2023
Record UNII
W3VN9AG8WK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Methyl (αS)-α-(2-chlorophenyl)-6,7-dihydro-2-sulfothieno[3,2-c]pyridine-5(4H)-acetate
Systematic Name English
(S)-5-(1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-sulfonic acid
Systematic Name English
Clopidogrel Sulfonated Impurity
Common Name English
Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-2-sulfo-, 5-methyl ester, (αS)-
Systematic Name English
Code System Code Type Description
FDA UNII
W3VN9AG8WK
Created by admin on Sat Dec 16 19:47:00 GMT 2023 , Edited by admin on Sat Dec 16 19:47:00 GMT 2023
PRIMARY
PUBCHEM
152546549
Created by admin on Sat Dec 16 19:47:00 GMT 2023 , Edited by admin on Sat Dec 16 19:47:00 GMT 2023
PRIMARY
CAS
2173294-69-2
Created by admin on Sat Dec 16 19:47:00 GMT 2023 , Edited by admin on Sat Dec 16 19:47:00 GMT 2023
PRIMARY