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| CAS No.: | 7492-29-7 |
|---|---|
| Name: | Clazolam |
| Molecular Structure: | |
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| Formula: | C18H17ClN2O |
| Molecular Weight: | 312.82 |
| Synonyms: | d,l-2-Chlor-5-methyl-5,9,10,14b-tetrahydro-isochino<2,1-d><1,4>benzodiazepin-6(7H)-on;41-123;2-Chloro-5,9,10,14b-tetrahydro-5-methylisoquino[2,1-d][1,4]benzodiazepin-6(7H)-one;Clazolam;2-chloro-5-methyl-5,9,10,14b-tetrahydro-benzo[5,6][1,4]diazepino[7,1-a]isoquinolin-6-one;5,9,10,14b-Tetrahydro-2-chloro-5-methylisoquino[2,1-d][1,4]benzodiazepin-6(7H)-one;2-Chloro-5-methyl-5,9,10,14B-tetrahydroisoquino[2,1-D][1,4]benzodiazepin-6(7H)-one; |
| Density: | 1.1689 (rough estimate) |
| Safety: | Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of Cl− and NOx. |
| PSA: | 23.55000 |
| LogP: | 3.26680 |
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Chemistry
Empirical Formula of Clazolam (CAS NO.7492-29-7): C18H17ClN2O
Molecular Weight: 312.7934 g/mol
Index of Refraction: 1.683
Density: 1.35 g/cm3
Flash Point: 255.5 °C
Enthalpy of Vaporization: 76.71 kJ/mol
Boiling Point: 498.8 °C at 760 mmHg
Vapour Pressure: 4.37E-10 mmHg at 25 °C
Structure of Clazolam (CAS NO.7492-29-7):
Canonical SMILES: CN1C(=O)CN2CCC3=CC=CC=C3C2C4=C1C=CC(=C4)Cl
InChI: InChI=1S/C18H17ClN2O/c1-20-16-7-6-13(19)10-15(16)18-14-5-3-2-4-12(14)8-9-21(18)11-17(20)22/h2-7,10,18H,8-9,11H2,1H3
InChIKey: YAQKGZXXQNKEET-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-rat LD50:1730 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,163. | ||
| 2. | ipr-rat LD50:465 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,163. | ||
| 3. | orl-mus LD50:1160 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,163. | ||
| 4. | ipr-mus LD50:233 mg/kg | JMCMAR Journal of Medicinal Chemistry. 11 (1968),777. |
Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition Clazolam (CAS NO.7492-29-7) emits very toxic fumes of Cl− and NOx.
Specification
Clazolam , its cas register number is 7492-29-7. It also can be called Clazolomum ; Isoquinazepon ; Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 2-chloro-5,9,10,14b-tetrahydro-5-methyl- ; and 2-Chlor-5,6,7,9,10,14b-hexahydro-5-methylisochino(2,1-d)(1,4)benzodiazepin-6-on [IUPAC] .