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

Details

Stereochemistry RACEMIC
Molecular Formula C20H20FNO3S.BrH
Molecular Weight 454.353
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PRASUGREL HYDROBROMIDE

SMILES

Br.CC(=O)OC1=CC2=C(CCN(C2)C(C(=O)C3CC3)C4=C(F)C=CC=C4)S1

InChI

InChIKey=AOMDYJTUFSZDBZ-UHFFFAOYSA-N
InChI=1S/C20H20FNO3S.BrH/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21;/h2-5,10,13,19H,6-9,11H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H20FNO3S
Molecular Weight 373.441
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:54:38 UTC 2023
Edited
by admin
on Sat Dec 16 11:54:38 UTC 2023
Record UNII
4XFT5Y771R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PRASUGREL HYDROBROMIDE
Common Name English
Prasugrel hydrobromide [WHO-DD]
Common Name English
ETHANONE, 2-(2-(ACETYLOXY)-6,7-DIHYDROTHIENO(3,2-C)PYRIDIN-5(4H)-YL)-1-CYCLOPROPYL-2-(2-FLUOROPHENYL)-, HYDROBROMIDE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
4XFT5Y771R
Created by admin on Sat Dec 16 11:54:38 UTC 2023 , Edited by admin on Sat Dec 16 11:54:38 UTC 2023
PRIMARY
CAS
1060616-79-6
Created by admin on Sat Dec 16 11:54:38 UTC 2023 , Edited by admin on Sat Dec 16 11:54:38 UTC 2023
PRIMARY
PUBCHEM
25071268
Created by admin on Sat Dec 16 11:54:38 UTC 2023 , Edited by admin on Sat Dec 16 11:54:38 UTC 2023
PRIMARY
SMS_ID
100000171724
Created by admin on Sat Dec 16 11:54:38 UTC 2023 , Edited by admin on Sat Dec 16 11:54:38 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE