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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H17NO5S
Molecular Weight 311.353
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FASIDOTRILAT

SMILES

C[C@H](NC(=O)[C@@H](CS)CC1=CC=C2OCOC2=C1)C(O)=O

InChI

InChIKey=TXSINLUUGRGAJO-WCBMZHEXSA-N
InChI=1S/C14H17NO5S/c1-8(14(17)18)15-13(16)10(6-21)4-9-2-3-11-12(5-9)20-7-19-11/h2-3,5,8,10,21H,4,6-7H2,1H3,(H,15,16)(H,17,18)/t8-,10+/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H17NO5S
Molecular Weight 311.353
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:58:59 UTC 2023
Edited
by admin
on Sat Dec 16 10:58:59 UTC 2023
Record UNII
0N48AL0PRA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FASIDOTRILAT
Common Name English
L-ALANINE, N-((2S)-3-(1,3-BENZODIOXOL-5-YL)-2-(MERCAPTOMETHYL)-1-OXOPROPYL)-
Systematic Name English
FASIDOTRIL DIACID [MI]
Common Name English
ALATRIOPRILAT
Brand Name English
Code System Code Type Description
PUBCHEM
9818189
Created by admin on Sat Dec 16 10:58:59 UTC 2023 , Edited by admin on Sat Dec 16 10:58:59 UTC 2023
PRIMARY
CAS
135038-59-4
Created by admin on Sat Dec 16 10:58:59 UTC 2023 , Edited by admin on Sat Dec 16 10:58:59 UTC 2023
PRIMARY
FDA UNII
0N48AL0PRA
Created by admin on Sat Dec 16 10:58:59 UTC 2023 , Edited by admin on Sat Dec 16 10:58:59 UTC 2023
PRIMARY
EPA CompTox
DTXSID20159221
Created by admin on Sat Dec 16 10:58:59 UTC 2023 , Edited by admin on Sat Dec 16 10:58:59 UTC 2023
PRIMARY
MERCK INDEX
m1152
Created by admin on Sat Dec 16 10:58:59 UTC 2023 , Edited by admin on Sat Dec 16 10:58:59 UTC 2023
PRIMARY Merck Index
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE
Related Record Type Details
ACTIVE MOIETY