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

Details

Stereochemistry UNKNOWN
Molecular Formula C15H13ClN2O4
Molecular Weight 320.728
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DEMETHYLCLOBAZAM-3',4'-DIHYDRODIOL

SMILES

O[C@H]1C=CC(=C[C@@H]1O)N2C3=CC(Cl)=CC=C3NC(=O)CC2=O

InChI

InChIKey=UHWFJILASHBPSE-STQMWFEESA-N
InChI=1S/C15H13ClN2O4/c16-8-1-3-10-11(5-8)18(15(22)7-14(21)17-10)9-2-4-12(19)13(20)6-9/h1-6,12-13,19-20H,7H2,(H,17,21)/t12-,13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H13ClN2O4
Molecular Weight 320.728
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 03:36:18 GMT 2025
Edited
by admin
on Wed Apr 02 03:36:18 GMT 2025
Record UNII
WBC44HTY65
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLOBAZAM METABOLITE M3
Preferred Name English
N-DEMETHYLCLOBAZAM-3',4'-DIHYDRODIOL
Common Name English
1H-1,5-BENZODIAZEPINE-2,4(3H,5H)-DIONE, 8-CHLORO-1-(3,4-DIHYDROXY-1,5-CYCLOHEXADIEN-1-YL)-, TRANS-
Systematic Name English
Code System Code Type Description
CAS
70643-21-9
Created by admin on Wed Apr 02 03:36:18 GMT 2025 , Edited by admin on Wed Apr 02 03:36:18 GMT 2025
PRIMARY
PUBCHEM
155928913
Created by admin on Wed Apr 02 03:36:18 GMT 2025 , Edited by admin on Wed Apr 02 03:36:18 GMT 2025
PRIMARY
FDA UNII
WBC44HTY65
Created by admin on Wed Apr 02 03:36:18 GMT 2025 , Edited by admin on Wed Apr 02 03:36:18 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE