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Name |
Mexazolam |
EINECS | N/A |
CAS No. | 31868-18-5 | Density | 1.44 g/cm3 |
PSA | 41.57000 | LogP | 3.94320 |
Solubility | N/A | Melting Point |
172-175° |
Formula | C18H16 Cl2 N2 O2 | Boiling Point | 522.2 °C at 760 mmHg |
Molecular Weight | 363.243 | Flash Point | 269.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Moderately toxic by intraperitoneal and subcutaneous routes. Mildly toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl− and NOx. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
CS 386;Melex; Mexazolam |
Article Data | 5 |
2-Amino-1-propanol
2-(2-bromo-acetylamino)-5,2'-dichloro-benzophenone
mexazolam
Conditions | Yield |
---|---|
(i) CH2Cl2, (ii) AcOH, EtOH; Multistep reaction; |
mexazolam
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; |
mexazolam
methyl iodide
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 | Yield |
---|---|
(i) NaOMe, MeOH, (ii) /BRN= 969135/, DMF; Multistep reaction; |
mexazolam
Conditions | Yield |
---|---|
With hydrogenchloride In ethanol; water Equilibrium constant; Mechanism; variation of pH and buffers.; | |
In ethanol; water at 25℃; Rate constant; |
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
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. |
Moderately toxic by intraperitoneal and subcutaneous routes. Mildly toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl− and NOx.
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.