M-100240

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H28N2O5S
Molecular Weight	480.576
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)S[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2CC3=C(C=CC=C3)[C@H]4CCC[C@H](N4C2=O)C(O)=O

InChI

InChIKey=AIEZUMPHACQOGT-BJESRGMDSA-N

InChI=1S/C26H28N2O5S/c1-16(29)34-23(14-17-8-3-2-4-9-17)24(30)27-20-15-18-10-5-6-11-19(18)21-12-7-13-22(26(32)33)28(21)25(20)31/h2-6,8-11,20-23H,7,12-15H2,1H3,(H,27,30)(H,32,33)/t20-,21+,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H28N2O5S
Molecular Weight	480.576
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:12:47 GMT 2025` Edited by `admin` on `Mon Mar 31 18:12:47 GMT 2025`
Record UNII	0K57643Y3A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

M 100240

Preferred Name

English

M-100240

Common Name

English

PYRIDO(2,1-A)(2)BENZAZEPINE-4-CARBOXYLIC ACID, 7-((2-(ACETYLTHIO)-1-OXO-3-PHENYLPROPYL)AMINO)-1,2,3,4,6,7,8,12B-OCTAHYDRO-6-OXO-, (4S-(4.ALPHA.,7.ALPHA.(R*),12B.BETA.))-

Systematic Name

English

M 100240 [WHO-DD]

Common Name

English

PYRIDO(2,1-A)(2)BENZAZEPINE-4-CARBOXYLIC ACID, 7-(((2S)-2-(ACETYLTHIO)-1-OXO-3-PHENYLPROPYL)AMINO)-1,2,3,4,6,7,8,12B-OCTAHYDRO-6-OXO-, (4S,7S,12BR)-

Systematic Name

English

MDL-100240

Code

English

HOECHST-MARION ROUSSEL 100240

Common Name

English

MDL 100240

Code

English

Code System Code Type Description

CAS

142695-08-7

Created by admin on Mon Mar 31 18:12:47 GMT 2025 , Edited by admin on Mon Mar 31 18:12:47 GMT 2025

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EPA CompTox

DTXSID00931603

Created by admin on Mon Mar 31 18:12:47 GMT 2025 , Edited by admin on Mon Mar 31 18:12:47 GMT 2025

PRIMARY

PUBCHEM

133985

Created by admin on Mon Mar 31 18:12:47 GMT 2025 , Edited by admin on Mon Mar 31 18:12:47 GMT 2025

PRIMARY

FDA UNII

0K57643Y3A

Created by admin on Mon Mar 31 18:12:47 GMT 2025 , Edited by admin on Mon Mar 31 18:12:47 GMT 2025

PRIMARY