U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C18H16BrN3O3
Molecular Weight 402.242
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 7-bromo-2,3-dihydro-2-oxo-5-(2-pyridinyl)-1H-1,4-benzodiazepine-3-propanoate

SMILES

COC(=O)CCC1N=C(C2=NC=CC=C2)C3=C(NC1=O)C=CC(Br)=C3

InChI

InChIKey=PITXBYGUVDYTBQ-UHFFFAOYSA-N
InChI=1S/C18H16BrN3O3/c1-25-16(23)8-7-15-18(24)22-13-6-5-11(19)10-12(13)17(21-15)14-4-2-3-9-20-14/h2-6,9-10,15H,7-8H2,1H3,(H,22,24)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Methyl 7-bromo-2,3-dihydro-2-oxo-5-(2-pyridinyl)-1H-1,4-benzodiazepine-3-propanoate
Systematic Name English
1H-1,4-Benzodiazepine-3-propanoic acid, 7-bromo-2,3-dihydro-2-oxo-5-(2-pyridinyl)-, methyl ester
Preferred Name English
Code System Code Type Description
PUBCHEM
67069239
Created by admin on Wed Apr 02 19:16:36 GMT 2025 , Edited by admin on Wed Apr 02 19:16:36 GMT 2025
PRIMARY
CAS
308242-81-1
Created by admin on Wed Apr 02 19:16:36 GMT 2025 , Edited by admin on Wed Apr 02 19:16:36 GMT 2025
PRIMARY
FDA UNII
RWQ4DF6GD8
Created by admin on Wed Apr 02 19:16:36 GMT 2025 , Edited by admin on Wed Apr 02 19:16:36 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966