MDL-27210

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H32N2O5
Molecular Weight	464.5534
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CC3=CC=CC=C3[C@H]4CCC[C@H](N4C2=O)C(O)=O

InChI

InChIKey=DWLMFLPIKHXXIA-XQUALCHDSA-N

InChI=1S/C27H32N2O5/c1-2-34-27(33)21(16-15-18-9-4-3-5-10-18)28-22-17-19-11-6-7-12-20(19)23-13-8-14-24(26(31)32)29(23)25(22)30/h3-7,9-12,21-24,28H,2,8,13-17H2,1H3,(H,31,32)/t21-,22-,23+,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H32N2O5
Molecular Weight	464.5534
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 22:56:45 GMT 2025` Edited by `admin` on `Mon Mar 31 22:56:45 GMT 2025`
Record UNII	W3H343W01N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MDL-27210

Code

English

MDL27210

Preferred Name

English

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

Systematic Name

English

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

Systematic Name

English

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

Common Name

English

Code System Code Type Description

CAS

111581-94-3

Created by admin on Mon Mar 31 22:56:45 GMT 2025 , Edited by admin on Mon Mar 31 22:56:45 GMT 2025

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EPA CompTox

DTXSID10149691

Created by admin on Mon Mar 31 22:56:45 GMT 2025 , Edited by admin on Mon Mar 31 22:56:45 GMT 2025

PRIMARY

PUBCHEM

5489409

Created by admin on Mon Mar 31 22:56:45 GMT 2025 , Edited by admin on Mon Mar 31 22:56:45 GMT 2025

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FDA UNII

W3H343W01N

Created by admin on Mon Mar 31 22:56:45 GMT 2025 , Edited by admin on Mon Mar 31 22:56:45 GMT 2025

PRIMARY

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