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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H11BrN2O
Molecular Weight 315.165
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-BROMO-5-PHENYL-1,2-DI-HYDRO-3H-1,4-BENZODIAZEPINE-2-ONE

SMILES

BrC1=CC=C2NC(=O)CN=C(C3=CC=CC=C3)C2=C1

InChI

InChIKey=ATCCWKYKHCKDGT-UHFFFAOYSA-N
InChI=1S/C15H11BrN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C15H11BrN2O
Molecular Weight 315.165
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:50:47 GMT 2025
Edited
by admin
on Tue Apr 01 20:50:47 GMT 2025
Record UNII
B5O0SGUU77
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BD-3
Preferred Name English
7-BROMO-5-PHENYL-1,2-DI-HYDRO-3H-1,4-BENZODIAZEPINE-2-ONE
Systematic Name English
DESALKYLGIDAZEPAM
Common Name English
2H-1,4-BENZODIAZEPIN-2-ONE, 7-BROMO-1,3-DIHYDRO-5-PHENYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10183136
Created by admin on Tue Apr 01 20:50:47 GMT 2025 , Edited by admin on Tue Apr 01 20:50:47 GMT 2025
PRIMARY
PUBCHEM
76167
Created by admin on Tue Apr 01 20:50:47 GMT 2025 , Edited by admin on Tue Apr 01 20:50:47 GMT 2025
PRIMARY
CAS
2894-61-3
Created by admin on Tue Apr 01 20:50:47 GMT 2025 , Edited by admin on Tue Apr 01 20:50:47 GMT 2025
PRIMARY
FDA UNII
B5O0SGUU77
Created by admin on Tue Apr 01 20:50:47 GMT 2025 , Edited by admin on Tue Apr 01 20:50:47 GMT 2025
PRIMARY
SMS_ID
300000056084
Created by admin on Tue Apr 01 20:50:47 GMT 2025 , Edited by admin on Tue Apr 01 20:50:47 GMT 2025
PRIMARY
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG