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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

Molecular Formula C18H16BrN3O3
Molecular Weight 402.242
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:16:36 GMT 2025
Edited
by admin
on Wed Apr 02 19:16:36 GMT 2025
Record UNII
RWQ4DF6GD8
Record Status Validated (UNII)
Record Version
  • Download
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