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| CAS No.: | 33671-46-4 |
|---|---|
| Name: | CLOTIAZEPAM |
| Molecular Structure: | |
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| Formula: | C16H15 Cl N2 O S |
| Molecular Weight: | 318.827 |
| Synonyms: | 2H-Thieno[2,3-e]-1,4-diazepin-2-one,5-(o-chlorophenyl)-7-ethyl-1,3-dihydro-1-methyl- (8CI);1-Methyl-5-o-chlorophenyl-7-ethyl-1,2-dihydro-3H-thieno[2,3-e][1,4]diazepin-2-one;5-(o-Chlorophenyl)-7-ethyl-1-methyl-1,2-dihydro-3H-thieno[2,3-e][1,4]diazepin-2-one;Clotiazepam; Clozan; Rize; Rizen; Tienor; Trecalmo; Veratran; Y 6047 |
| EINECS: | 251-627-3 |
| Density: | 1.33 g/cm3 |
| Melting Point: | 105-106° |
| Boiling Point: | 523.7 °C at 760 mmHg |
| Flash Point: | 270.5 °C |
| Safety: | Moderately toxic by ingestion, subcutaneous, and intraperitoneal routes. An experimental teratogen. Other experimental reproductive effects. A tranquilizer. When heated to decomposition it emits very toxic fumes of SOx, NOx, and Cl−. See also DIAZEPAM. |
| PSA: | 60.91000 |
| LogP: | 3.27830 |
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Chemistry
Product Name: Clotiazepam (CAS NO.33671-46-4)
Molecular Formula: C16H15ClN2OS
Molecular Weight: 318.82g/mol
Mol File: 33671-46-4.mol
Einecs: 251-627-3
Boiling point: 523.7 °C at 760 mmHg
Flash Point: 270.5 °C
Density: 1.33 g/cm3
Surface Tension: 48 dyne/cm
Enthalpy of Vaporization: 79.75 kJ/mol
Vapour Pressure: 4.6E-11 mmHg at 25°C
XLogP3-AA: 3.5
H-Bond Donor: 0
H-Bond Acceptor: 2
IUPAC Name: 5-(2-chlorophenyl)-7-ethyl-1-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one
Canonical SMILES: CCC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=CC=C3Cl)C
InChI: InChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19
(2)16(12)21-10/h4-8H,3,9H2,1-2H3
InChIKey: CHBRHODLKOZEPZ-UHFFFAOYSA-N
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 440mg/kg (440mg/kg) | Journal of Medicinal Chemistry. Vol. 16, Pg. 214, 1973. | |
| mouse | LD50 | oral | 636mg/kg (636mg/kg) | Journal of Medicinal Chemistry. Vol. 16, Pg. 214, 1973. | |
| mouse | LD50 | subcutaneous | 2837mg/kg (2837mg/kg) | Drugs in Japan Vol. 6, Pg. 233, 1982. | |
| rat | LD50 | intraperitoneal | 682mg/kg (682mg/kg) | Drugs in Japan Vol. 6, Pg. 233, 1982. | |
| rat | LD50 | oral | 1461mg/kg (1461mg/kg) | Drugs in Japan Vol. 6, Pg. 233, 1982. | |
| rat | LD50 | subcutaneous | > 5gm/kg (5000mg/kg) | Drugs in Japan Vol. 6, Pg. 233, 1982. |
Safety Profile
Moderately toxic by ingestion, subcutaneous, and intraperitoneal routes. An experimental teratogen. Other experimental reproductive effects. A tranquilizer. When heated to decomposition it emits very toxic fumes of SOx, NOx, and Cl−. See also DIAZEPAM.
Specification
Clotiazepam ,its CAS NO. is 33671-46-4,the synonyms is 5-(2-Chlorophenyl)-7-ethyl-1-methyl-1,3-dihydro-2H-thieno(2,3-e)(1,4)diazepin-2-one ; 5-(o-Chlorophenyl)-7-ethyl-1,3-dihydro-1-methyl-2H-thieno(2,3-e)-1,4-diazepin-2-one ; BRN 0623332 ; Clotiazepamum ; EINECS 251-627-3 ; Rizen ; Tienor ; Trecalmo ; UNII-ZCN055599V ; Y 6047 ; 2H-Thieno(2,3-e)(1,4)diazepin-2-one, 1,3-dihydro-5-(o-chlorophenyl)-7-ethyl-1-methyl- .