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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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:06:16 UTC 2023
Edited
by admin
on Fri Dec 15 16:06:16 UTC 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 UTC 2023 , Edited by admin on Fri Dec 15 16:06:16 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C77582
Created by admin on Fri Dec 15 16:06:16 UTC 2023 , Edited by admin on Fri Dec 15 16:06:16 UTC 2023
PRIMARY
INN
7377
Created by admin on Fri Dec 15 16:06:16 UTC 2023 , Edited by admin on Fri Dec 15 16:06:16 UTC 2023
PRIMARY
SMS_ID
100000083201
Created by admin on Fri Dec 15 16:06:16 UTC 2023 , Edited by admin on Fri Dec 15 16:06:16 UTC 2023
PRIMARY
ChEMBL
CHEMBL2104660
Created by admin on Fri Dec 15 16:06:16 UTC 2023 , Edited by admin on Fri Dec 15 16:06:16 UTC 2023
PRIMARY
PUBCHEM
3086546
Created by admin on Fri Dec 15 16:06:16 UTC 2023 , Edited by admin on Fri Dec 15 16:06:16 UTC 2023
PRIMARY
MESH
C469873
Created by admin on Fri Dec 15 16:06:16 UTC 2023 , Edited by admin on Fri Dec 15 16:06:16 UTC 2023
PRIMARY
CAS
112573-72-5
Created by admin on Fri Dec 15 16:06:16 UTC 2023 , Edited by admin on Fri Dec 15 16:06:16 UTC 2023
PRIMARY
EVMPD
SUB07024MIG
Created by admin on Fri Dec 15 16:06:16 UTC 2023 , Edited by admin on Fri Dec 15 16:06:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID90150104
Created by admin on Fri Dec 15 16:06:16 UTC 2023 , Edited by admin on Fri Dec 15 16:06:16 UTC 2023
PRIMARY
FDA UNII
5OFI9D9892
Created by admin on Fri Dec 15 16:06:16 UTC 2023 , Edited by admin on Fri Dec 15 16:06:16 UTC 2023
PRIMARY
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG
Related Record Type Details
ACTIVE MOIETY