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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H23NO4S
Molecular Weight 385.477
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEXECADOTRIL

SMILES

CC(=O)SC[C@H](CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2

InChI

InChIKey=ODUOJXZPIYUATO-IBGZPJMESA-N
InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H23NO4S
Molecular Weight 385.477
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Dexecadotril is powerful and selective inhibitor of neprilysin. It is anti-hypotensive agent. Dexecadotril was found to possess chemoprotective activity. It might be biologically active against multiple myeloma. It was under clinical evaluation as an intestinal antisecretatory agent.

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:06:16 GMT 2023
Edited
by admin
on Fri Dec 15 16:06:16 GMT 2023
Record UNII
5OFI9D9892
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEXECADOTRIL
INN  
INN  
Official Name English
Retorphan
Common Name English
dexecadotril [INN]
Common Name English
(+)-N-((R)-.ALPHA.-(MERCAPTOMETHYL)HYDROCINNAMOYL)GLYCINE, BENZYL ESTER, ACETATE (ESTER)
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C783
Created by admin on Fri Dec 15 16:06:16 GMT 2023 , Edited by admin on Fri Dec 15 16:06:16 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C77582
Created by admin on Fri Dec 15 16:06:16 GMT 2023 , Edited by admin on Fri Dec 15 16:06:16 GMT 2023
PRIMARY
INN
7377
Created by admin on Fri Dec 15 16:06:16 GMT 2023 , Edited by admin on Fri Dec 15 16:06:16 GMT 2023
PRIMARY
SMS_ID
100000083201
Created by admin on Fri Dec 15 16:06:16 GMT 2023 , Edited by admin on Fri Dec 15 16:06:16 GMT 2023
PRIMARY
ChEMBL
CHEMBL2104660
Created by admin on Fri Dec 15 16:06:16 GMT 2023 , Edited by admin on Fri Dec 15 16:06:16 GMT 2023
PRIMARY
PUBCHEM
3086546
Created by admin on Fri Dec 15 16:06:16 GMT 2023 , Edited by admin on Fri Dec 15 16:06:16 GMT 2023
PRIMARY
MESH
C469873
Created by admin on Fri Dec 15 16:06:16 GMT 2023 , Edited by admin on Fri Dec 15 16:06:16 GMT 2023
PRIMARY
CAS
112573-72-5
Created by admin on Fri Dec 15 16:06:16 GMT 2023 , Edited by admin on Fri Dec 15 16:06:16 GMT 2023
PRIMARY
EVMPD
SUB07024MIG
Created by admin on Fri Dec 15 16:06:16 GMT 2023 , Edited by admin on Fri Dec 15 16:06:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID90150104
Created by admin on Fri Dec 15 16:06:16 GMT 2023 , Edited by admin on Fri Dec 15 16:06:16 GMT 2023
PRIMARY
FDA UNII
5OFI9D9892
Created by admin on Fri Dec 15 16:06:16 GMT 2023 , Edited by admin on Fri Dec 15 16:06:16 GMT 2023
PRIMARY
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG
Related Record Type Details
ACTIVE MOIETY