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

Details

Stereochemistry RACEMIC
Molecular Formula C16H15ClNO2S.Br
Molecular Weight 400.718
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Clopidogrel pyridinium bromide, (+/-)-

SMILES

[Br-].COC(=O)C(C1=C(Cl)C=CC=C1)[N+]2=CC3=C(CC2)SC=C3

InChI

InChIKey=KEWLMQVQNGJIKW-UHFFFAOYSA-M
InChI=1S/C16H15ClNO2S.BrH/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;/h2-5,7,9-10,15H,6,8H2,1H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C16H15ClNO2S
Molecular Weight 320.814
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula Br
Molecular Weight 79.904
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:35:19 GMT 2023
Edited
by admin
on Sat Dec 16 19:35:19 GMT 2023
Record UNII
2B7WNR8QSK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Clopidogrel pyridinium bromide, (+/-)-
Common Name English
Thieno[3,2-c]pyridinium, 5-[1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-6,7-dihydro-, bromide (1:1)
Systematic Name English
5-(1-(2-chlorophenyl)-2-methoxy-2-oxoethyl)-6,7-dihydrothieno[3,2-c]pyridin-5-ium bromide
Systematic Name English
Code System Code Type Description
PUBCHEM
71314783
Created by admin on Sat Dec 16 19:35:19 GMT 2023 , Edited by admin on Sat Dec 16 19:35:19 GMT 2023
PRIMARY
CAS
2418591-12-3
Created by admin on Sat Dec 16 19:35:19 GMT 2023 , Edited by admin on Sat Dec 16 19:35:19 GMT 2023
PRIMARY
FDA UNII
2B7WNR8QSK
Created by admin on Sat Dec 16 19:35:19 GMT 2023 , Edited by admin on Sat Dec 16 19:35:19 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE