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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H14ClFN2O2
Molecular Weight 332.757
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-Chloro-5-(2-fluoro-5-hydroxyphenyl)-1,7-dimethyl-3H-1,4-benzodiazepin-2-one

SMILES

CN1C2=CC=C(C)C(Cl)=C2C(=NCC1=O)C3=CC(O)=CC=C3F

InChI

InChIKey=RHGALLXQCYCOFY-UHFFFAOYSA-N
InChI=1S/C17H14ClFN2O2/c1-9-3-6-13-15(16(9)18)17(20-8-14(23)21(13)2)11-7-10(22)4-5-12(11)19/h3-7,22H,8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C17H14ClFN2O2
Molecular Weight 332.757
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 Wed Apr 02 12:47:12 GMT 2025
Edited
by admin
on Wed Apr 02 12:47:12 GMT 2025
Record UNII
P8QYU6KK5U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-Chloro-5-(2-fluoro-5-hydroxyphenyl)-1,7-dimethyl-3H-1,4-benzodiazepin-2-one
Systematic Name English
2H-1,4-Benzodiazepin-2-one, 6-chloro-5-(2-fluoro-5-hydroxyphenyl)-1,3-dihydro-1,7-dimethyl-
Preferred Name English
Code System Code Type Description
PUBCHEM
168192190
Created by admin on Wed Apr 02 12:47:12 GMT 2025 , Edited by admin on Wed Apr 02 12:47:12 GMT 2025
PRIMARY
CAS
2922483-22-3
Created by admin on Wed Apr 02 12:47:12 GMT 2025 , Edited by admin on Wed Apr 02 12:47:12 GMT 2025
PRIMARY
FDA UNII
P8QYU6KK5U
Created by admin on Wed Apr 02 12:47:12 GMT 2025 , Edited by admin on Wed Apr 02 12:47:12 GMT 2025
PRIMARY