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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H13ClN2O
Molecular Weight 284.74
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Methyldesmethyldiazepam, (R)-

SMILES

C[C@H]1N=C(C2=CC=CC=C2)C3=C(NC1=O)C=CC(Cl)=C3

InChI

InChIKey=SATGIBNNISQKBG-SNVBAGLBSA-N
InChI=1S/C16H13ClN2O/c1-10-16(20)19-14-8-7-12(17)9-13(14)15(18-10)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20)/t10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H13ClN2O
Molecular Weight 284.74
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 17:40:27 GMT 2025
Edited
by admin
on Wed Apr 02 17:40:27 GMT 2025
Record UNII
CF7EVU4VBB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Methyldesmethyldiazepam, (R)-
Common Name English
(R)-3-Methyldesmethyldiazepam
Preferred Name English
2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-methyl-5-phenyl-, (3R)-
Systematic Name English
(3R)-7-Chloro-1,3-dihydro-3-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one
Systematic Name English
2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-methyl-5-phenyl-, (R)-
Systematic Name English
Code System Code Type Description
FDA UNII
CF7EVU4VBB
Created by admin on Wed Apr 02 17:40:27 GMT 2025 , Edited by admin on Wed Apr 02 17:40:27 GMT 2025
PRIMARY
EPA CompTox
DTXSID30198742
Created by admin on Wed Apr 02 17:40:27 GMT 2025 , Edited by admin on Wed Apr 02 17:40:27 GMT 2025
PRIMARY
PUBCHEM
2794057
Created by admin on Wed Apr 02 17:40:27 GMT 2025 , Edited by admin on Wed Apr 02 17:40:27 GMT 2025
PRIMARY
CAS
50691-97-9
Created by admin on Wed Apr 02 17:40:27 GMT 2025 , Edited by admin on Wed Apr 02 17:40:27 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER