CAS No.31868-18-5,mexazolam Suppliers

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Basic Information

Molecular Structure:
CAS No.:	31868-18-5
Name:	mexazolam
Article Data:	5

Formula:	C18H16 Cl2 N2 O2
Molecular Weight:	363.243
Synonyms:	CS 386;Melex; Mexazolam
Density:	1.44 g/cm³
Melting Point:	172-175°
Boiling Point:	522.2 °C at 760 mmHg
Flash Point:	269.6 °C
Safety:	Moderately toxic by intraperitoneal and subcutaneous routes. Mildly toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl⁻ and NO_x.
PSA:	41.57000
LogP:	3.94320

Synthetic route

: 6168-72-5
2-Amino-1-propanol

: 5504-92-7
2-(2-bromo-acetylamino)-5,2'-dichloro-benzophenone

: 31868-18-5
mexazolam

Conditions

Conditions	Yield
(i) CH2Cl2, (ii) AcOH, EtOH; Multistep reaction;

: 7-Chloro-5-(2-chloro-phenyl)-4-(2-hydroxy-1-methyl-ethyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-4-ium

: 31868-18-5
mexazolam

Conditions

Conditions	Yield
With borate buffer (pH=8-10.5) In ethanol; water Equilibrium constant; Mechanism; variation of pH and buffers.;
In ethanol; water at 25℃; Rate constant;

: 31868-18-5
mexazolam

: 74-88-4
methyl iodide

: 32711-03-8
10-chloro-11b-(2-chloro-phenyl)-3,7-dimethyl-2,3,7,11b-hexahydro-benzo[f]oxazolo[3,2-e][1,4]diazepin-6-one

Conditions

Conditions	Yield
(i) NaOMe, MeOH, (ii) /BRN= 969135/, DMF; Multistep reaction;

: 31868-18-5
mexazolam

: 7-Chloro-5-(2-chloro-phenyl)-4-(2-hydroxy-1-methyl-ethyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-4-ium

Conditions

Conditions	Yield
With hydrogenchloride In ethanol; water Equilibrium constant; Mechanism; variation of pH and buffers.;
In ethanol; water at 25℃; Rate constant;

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Chemistry

Molecule structure of Mexazolam (CAS NO.31868-18-5) :

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
Molecular Weight: 363.23784 g/mol
Molecular Formula: C₁₈H₁₆Cl₂N₂O₂
Density: 1.44 g/cm³
Boiling Point: 522.2 °C at 760 mmHg
Flash Point: 269.6 °C
Index of Refraction: 1.675
Molar Refractivity: 94.18 cm³
Molar Volume: 250.5 cm³
Polarizability: 37.33*10^-24 cm³
Surface Tension: 62.9 dyne/cm
Enthalpy of Vaporization: 79.56 kJ/mol
Vapour Pressure: 5.29E-11 mmHg at 25 °C
XLogP3-AA: 3.7
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 362.058883
MonoIsotopic Mass: 362.058883
Topological Polar Surface Area: 41.6
Heavy Atom Count: 24
Complexity: 505
Canonical SMILES: CC1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
InChI: InChI=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)
InChIKey: ANUCDXCTICZJRH-UHFFFAOYSA-N

Toxicity Data With Reference

1.	orl-rat LD50:4500 mg/kg	SKKNAJ Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories 30 (1978),175.
2.	ipr-rat LD50:4000 mg/kg	SKKNAJ Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories 30 (1978),175.
3.	scu-rat LD50:4000 mg/kg	SKKNAJ Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories 30 (1978),175.
4.	orl-mus LD50:4571 mg/kg	SKKNAJ Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories 30 (1978),175.
5.	ipr-mus LD50:6000 mg/kg	SKKNAJ Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories 30 (1978),175.
6.	scu-mus LD50:6000 mg/kg	SKKNAJ Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories 30 (1978),175.

Safety Profile

Moderately toxic by intraperitoneal and subcutaneous routes. Mildly toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl⁻ and NO_x.

Specification

Mexazolam (CAS NO.31868-18-5) is also called 10-Chloro-11b-(o-chlorophenyl)-2,3,7,11b-tetrahydro-3-methyloxazolo(3,2-d)(1,4)benzodiazepin-6(5H)-one ; BRN 1091849 ; CS 386 ; Melex ; Mexazolamum ; Mexazolamum [INN-Latin] ; UNII-S5969B6237 ; Oxazolo(3,2-d)(1,4)benzodiazepin-6(5H)-one, 10-chloro-11b-(2-chlorophenyl)-2,3,7,11b-tetrahydro-3-methyl- . Mexazolam (CAS NO.31868-18-5) (marketed under brand name Melex and Sedoxil) is a drug which is a benzodiazepine derivative. Atorvastatin administration along with mexazolam results in a reduced elimination rate of mexazolam. Mexazolam has been trialed for anxiety and was found to be effective in alleviating anxiety at one week follow-up, however, after three weeks of therapy mexazolam had lost its therapeutic anxiolytic properties becoming no more effective than placebo, presumably due to benzodiazepine tolerance. Mexazolam is metabolised via thee CYP3A4 pathway. HMG-CoA reductase inhibitors including simvastatin, simvastatin acid, lovastatin, fluvastatin, atorvastatin and cerivastatin inhibit the metabolism of mexazolam. Pravastatin, an HMG-CoA reductase inhibitor however, does not inhibit mexazolam metabolism.