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

Details

Stereochemistry RACEMIC
Molecular Formula C20H20FNO3S.H2O4S
Molecular Weight 471.52
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PRASUGREL SULFATE

SMILES

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

InChI

InChIKey=ZNVPRXPFKKDRBO-UHFFFAOYSA-N
InChI=1S/C20H20FNO3S.H2O4S/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;1-5(2,3)4/h2-5,10,13,19H,6-9,11H2,1H3;(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula H2O4S
Molecular Weight 98.078
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 11:55:18 UTC 2023
Edited
by admin
on Sat Dec 16 11:55:18 UTC 2023
Record UNII
K9GA2EPK9H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PRASUGREL SULFATE
Common Name English
ETHANONE, 2-(2-(ACETYLOXY)-6,7-DIHYDROTHIENO(3,2-C)PYRIDIN-5(4H)-YL)-1-CYCLOPROPYL-2-(2-FLUOROPHENYL)-, SULFATE (1:1)
Systematic Name English
PRASUGREL HYDROGEN SULFATE
Common Name English
Code System Code Type Description
FDA UNII
K9GA2EPK9H
Created by admin on Sat Dec 16 11:55:19 UTC 2023 , Edited by admin on Sat Dec 16 11:55:19 UTC 2023
PRIMARY
PUBCHEM
25070733
Created by admin on Sat Dec 16 11:55:19 UTC 2023 , Edited by admin on Sat Dec 16 11:55:19 UTC 2023
PRIMARY
CAS
1191933-01-3
Created by admin on Sat Dec 16 11:55:19 UTC 2023 , Edited by admin on Sat Dec 16 11:55:19 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE