Details of the Drug

General Information of Drug (ID: DME1X96)

Drug Name
Mexazolam
Synonyms
Melex (TN); Mexazolam (JAN/INN); Mexazolam [INN:JAN]; Mexazolamum; Mexazolamum [INN-Latin]; Sedoxil; mexazolam; 10-Chloro-11b-(2-chlorophenyl)-2,3,7,11b-tetrahydro-3-methyloxazolo(3,2-d)(1,4)benzodiazepin-6(5H)-one; 10-Chloro-11b-(o-chlorophenyl)-2,3,7,11b-tetrahydro-3-methyloxazolo(3,2-d)(1,4)benzodiazepin-6(5H)-one; 31868-18-5; AC1L1HL4; BRN 1091849; C18H16Cl2N2O2; CHEBI:31842; CS 386; CS-386; DSSTox_CID_31504; Melex; Oxazolo(3,2-d)(1,4)benzodiazepin-6(5H)-one, 10-chloro-11b-(2-chlorophenyl)-2,3,7,11b-tetrahydro-3-methyl-
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 363.2
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
ADMET Property
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 1-2 h [1]
Elimination
Mexazolam is mainly eliminated in the bile and feces, with <10% eliminated as metabolites in the urine [1]
Half-life
The concentration or amount of drug in body reduced by one-half in 76 hours [1]
Metabolism
The drug is metabolized to the active metabolites chloronordiazepam and chloroxazepam [1]
Chemical Identifiers
Formula
C18H16Cl2N2O2
IUPAC Name
10-chloro-11b-(2-chlorophenyl)-3-methyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
Canonical SMILES
CC1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
InChI
ANUCDXCTICZJRH-UHFFFAOYSA-N
InChIKey
1S/C18H16Cl2N2O2/c1-11-10-24-18(13-4-2-3-5-15(13)20)14-8-12(19)6-7-16(14)21-17(23)9-22(11)18/h2-8,11H,9-10H2,1H3,(H,21,23)
Cross-matching ID
PubChem CID
4177
ChEBI ID
CHEBI:31842
CAS Number
31868-18-5
DrugBank ID
DB15489
INTEDE ID
DR1077

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 Mexazolam: clinical efficacy and tolerability in the treatment of anxiety. Neurol Ther. 2014 Mar 29;3(1):1-14. doi: 10.1007/s40120-014-0016-7. eCollection 2014 Jun.
2 A comparison of the effects of 3-hydroxy-3-methylglutaryl-coenzyme a (HMG-CoA) reductase inhibitors on the CYP3A4-dependent oxidation of mexazolam in vitro. Drug Metab Dispos. 2001 Mar;29(3):282-8.