Methyl (3S)-7-bromo-2-[(2,2-dimethoxypropyl)amino]-5-(2-pyridinyl)-3H-1,4-benzodiazepine-3-propanoate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H27BrN4O4
Molecular Weight	503.389
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl (3S)-7-bromo-2-[(2,2-dimethoxypropyl)amino]-5-(2-pyridinyl)-3H-1,4-benzodiazepine-3-propanoate

Structure Search

SMILES

COC(=O)CC[C@@H]1N=C(C2=NC=CC=C2)C3=C(C=CC(Br)=C3)N=C1NCC(C)(OC)OC

InChI

InChIKey=ABBMEQAJHJPCBO-IBGZPJMESA-N

InChI=1S/C23H27BrN4O4/c1-23(31-3,32-4)14-26-22-19(10-11-20(29)30-2)27-21(18-7-5-6-12-25-18)16-13-15(24)8-9-17(16)28-22/h5-9,12-13,19H,10-11,14H2,1-4H3,(H,26,28)/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H27BrN4O4
Molecular Weight	503.389
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 `Wed Apr 02 19:52:46 GMT 2025` Edited by `admin` on `Wed Apr 02 19:52:46 GMT 2025`
Record UNII	WJY5RNE7TA
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3H-1,4-Benzodiazepine-3-propanoic acid, 7-bromo-2-[(2,2-dimethoxypropyl)amino]-5-(2-pyridinyl)-, methyl ester, (3S)-

Preferred Name

English

Methyl (3S)-7-bromo-2-[(2,2-dimethoxypropyl)amino]-5-(2-pyridinyl)-3H-1,4-benzodiazepine-3-propanoate

Systematic Name

English

Code System Code Type Description

CAS

2242643-47-4

Created by admin on Wed Apr 02 19:52:46 GMT 2025 , Edited by admin on Wed Apr 02 19:52:46 GMT 2025

PRIMARY

PUBCHEM

137281584

Created by admin on Wed Apr 02 19:52:46 GMT 2025 , Edited by admin on Wed Apr 02 19:52:46 GMT 2025

PRIMARY

FDA UNII

WJY5RNE7TA

Created by admin on Wed Apr 02 19:52:46 GMT 2025 , Edited by admin on Wed Apr 02 19:52:46 GMT 2025

PRIMARY