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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 ECADOTRIL

SMILES

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

InChI

InChIKey=ODUOJXZPIYUATO-LJQANCHMSA-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-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
ECADOTRIL
INN   USAN  
INN   USAN  
Official Name English
BAY Y 7432
Code English
BAY-Y-7432
Code English
ECADOTRIL [USAN]
Common Name English
N-[(S)-α-(Mercaptomethyl)hydrocinnamoyl]glycine, benzyl ester, acetate (ester)
Common Name English
ecadotril [INN]
Common Name English
GLYCINE, N-(2-((ACETYLTHIO)METHYL)-1-OXO-3-PHENYLPROPYL)-, PHENYLMETHYL ESTER, (S)-
Common Name English
Sinorphan
Common Name English
S-049
Code English
RACECADOTRIL (S)-FORM [MI]
Common Name English
RACECADOTRIL (S)-FORM
MI  
Common Name English
BP 1.02
Code English
S049
Code English
BP-1.02
Code English
Classification Tree Code System Code
NCI_THESAURUS C783
Created by admin on Fri Dec 15 15:52:17 UTC 2023 , Edited by admin on Fri Dec 15 15:52:17 UTC 2023
Code System Code Type Description
PUBCHEM
60561
Created by admin on Fri Dec 15 15:52:17 UTC 2023 , Edited by admin on Fri Dec 15 15:52:17 UTC 2023
PRIMARY
WIKIPEDIA
Ecadotril
Created by admin on Fri Dec 15 15:52:17 UTC 2023 , Edited by admin on Fri Dec 15 15:52:17 UTC 2023
PRIMARY
EVMPD
SUB06442MIG
Created by admin on Fri Dec 15 15:52:17 UTC 2023 , Edited by admin on Fri Dec 15 15:52:17 UTC 2023
PRIMARY
FDA UNII
6XSR933SRK
Created by admin on Fri Dec 15 15:52:17 UTC 2023 , Edited by admin on Fri Dec 15 15:52:17 UTC 2023
PRIMARY
EPA CompTox
DTXSID40861036
Created by admin on Fri Dec 15 15:52:17 UTC 2023 , Edited by admin on Fri Dec 15 15:52:17 UTC 2023
PRIMARY
INN
6896
Created by admin on Fri Dec 15 15:52:17 UTC 2023 , Edited by admin on Fri Dec 15 15:52:17 UTC 2023
PRIMARY
CAS
112573-73-6
Created by admin on Fri Dec 15 15:52:17 UTC 2023 , Edited by admin on Fri Dec 15 15:52:17 UTC 2023
PRIMARY
NCI_THESAURUS
C75238
Created by admin on Fri Dec 15 15:52:17 UTC 2023 , Edited by admin on Fri Dec 15 15:52:17 UTC 2023
PRIMARY
MERCK INDEX
m9477
Created by admin on Fri Dec 15 15:52:17 UTC 2023 , Edited by admin on Fri Dec 15 15:52:17 UTC 2023
PRIMARY Merck Index
MESH
C049331
Created by admin on Fri Dec 15 15:52:17 UTC 2023 , Edited by admin on Fri Dec 15 15:52:17 UTC 2023
PRIMARY
USAN
GG-102
Created by admin on Fri Dec 15 15:52:17 UTC 2023 , Edited by admin on Fri Dec 15 15:52:17 UTC 2023
PRIMARY
SMS_ID
100000080504
Created by admin on Fri Dec 15 15:52:17 UTC 2023 , Edited by admin on Fri Dec 15 15:52:17 UTC 2023
PRIMARY
ChEMBL
CHEMBL1516410
Created by admin on Fri Dec 15 15:52:17 UTC 2023 , Edited by admin on Fri Dec 15 15:52:17 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of Thiorphan, (S)-
SUBSTANCE RECORD
Structure of ECADOTRIL
NIH
NCATS
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