ECADOTRIL

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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 ECADOTRIL

Structure Search

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

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 15:52:17 UTC 2023` Edited by `admin` on `Fri Dec 15 15:52:17 UTC 2023`
Record UNII	6XSR933SRK
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ECADOTRIL

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

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

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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

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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

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