Details of the Drug

General Information of Drug (ID: DM170OH)

Drug Name
Ketazolam
Synonyms
Ketazolamum; Ketazolamum [INN-Latin]; Loftran; U 28774; U-28,774; Unakalm; Anseren; Ansieten; KETAZOLAM; 11-Chloro-8,12b-dihydro-2,8-dimethyl-12b-phenyl-4H-(1,3)-oxazino(3,2-d)(1,4)benzodiazepine-4,7(6H)dione; 27223-35-4; 4H-(1,3)Oxazino(3,2-d)(1,4)benzodiazepine-4,7(6H)-dione, 8,12b-dihydro-11-chloro-2,8-dimethyl-12b-phenyl-; 4H-[1,3]Oxazino[3,2-d][1,4]benzodiazepine-4,7(6H)-dione, 11-chloro-8,12b-dihydro-2,8-dimethyl-12b-phenyl-; Anxon; EINECS 248-346-3; NSC 338158
ATC Code
N05BA10: Ketazolam
N05BA: Benzodiazepine derivatives
N05B: ANXIOLYTICS
N05: PSYCHOLEPTICS
N: NERVOUS SYSTEM
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 368.8
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
ADMET Property
Half-life
The concentration or amount of drug in body reduced by one-half in 26 - 200 hours [1]
Metabolism
The drug is metabolized to diazepam, followed by demoxepam, and finally desmethyldiazepam []
Chemical Identifiers
Formula
C20H17ClN2O3
IUPAC Name
11-chloro-2,8-dimethyl-12b-phenyl-6H-[1,3]oxazino[3,2-d][1,4]benzodiazepine-4,7-dione
Canonical SMILES
CC1=CC(=O)N2CC(=O)N(C3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl)C
InChI
InChI=1S/C20H17ClN2O3/c1-13-10-18(24)23-12-19(25)22(2)17-9-8-15(21)11-16(17)20(23,26-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKey
PWAJCNITSBZRBL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
33746
ChEBI ID
CHEMBL135556
CAS Number
27223-35-4
UNII
92A214MD7Y
DrugBank ID
DB01587
INTEDE ID
DR0904
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
2 Metabolic profile of oxazepam and related benzodiazepines: clinical and forensic aspects. Drug Metab Rev. 2017 Nov;49(4):451-463.