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| CAS No.: | 2011-67-8 |
|---|---|
| Name: | Nimetazepam |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C16H13N3O3 |
| Molecular Weight: | 295.298 |
| Synonyms: | 1-Methyl-5-phenyl-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one;1-Methylnitrazepam;Elimin;Erimin;Hypnon;Methylnitrazepam;N-Methylmogadon;N-Methylnitrazepam;Nimetazam;Nimetazepam;Ro 5-3453;S 1530;2H-1,4-Benzodiazepin-2-one,1,3-dihydro-1-methyl-7-nitro-5-phenyl-; |
| EINECS: | 217-931-5 |
| Density: | 1.331 g/cm3 |
| Melting Point: | -44 °C |
| Boiling Point: | 540.467 °C at 760 mmHg |
| Flash Point: | 280.665 °C |
| Hazard Symbols: | F,T |
| Risk Codes: | 11-23/24/25-39/23/24/25 |
| Safety: | 16-36/37-45 |
| PSA: | 78.49000 |
| LogP: | 2.43240 |
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Chemistry
Molecular Structure of Nimetazepam (CAS NO.2011-67-8):
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IUPAC Name: 1-Methyl-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one
Canonical SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3
InChI: InChI=1S/C16H13N3O3/c1-18-14-8-7-12(19(21)22)9-13(14)16(17-10-15(18)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKey: GWUSZQUVEVMBPI-UHFFFAOYSA-N
Molecular Weight: 295.29272 [g/mol]
Molecular Formula: C16H13N3O3
XLogP3: 2.2
H-Bond Donor: 0
H-Bond Acceptor: 4
EINECS: 217-931-5
Melting Point: 156.5-7.5 °C
Index of Refraction: 1.66
Molar Refractivity: 81.97 cm3
Molar Volume: 221.9 cm3
Surface Tension: 55.3 dyne/cm
Density: 1.33 g/cm3
Flash Point: 280.7 °C
Enthalpy of Vaporization: 81.81 kJ/mol
Boiling Point: 540.5 °C at 760 mmHg
Vapour Pressure: 9.53E-12 mmHg at 25 °C
Water Solubility: 76.2 mg/L at 25 °C
Classification Code: Drug / Therapeutic Agent; Mutation data; Reproductive Effect; Tranquilizer
Uses
Nimetazepam (CAS No.2011-67-8) is mainly used as antipsychotics.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 510mg/kg (510mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Oyo Yakuri. Pharmacometrics. Vol. 7, Pg. 705, 1973. |
| mouse | LD50 | oral | 750mg/kg (750mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 534, 1972. |
| mouse | LD50 | subcutaneous | > 5gm/kg (5000mg/kg) | PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Oyo Yakuri. Pharmacometrics. Vol. 7, Pg. 705, 1973. |
| rat | LD50 | intraperitoneal | 970mg/kg (970mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 534, 1972. |
| rat | LD50 | oral | 970mg/kg (970mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 534, 1972. |
| rat | LD50 | subcutaneous | > 1gm/kg (1000mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 534, 1972. |
Safety Profile
Moderately toxic by ingestion and intraperitoneal routes. Experimental reproductive effects. An anticonvulsant and muscle relaxant. Related to diazepam. When heated to decomposition it emits toxic fumes of NOx.
Specification
Nimetazepam (CAS NO.2011-67-8), its Synonyms are 1-Methyl-5-phenyl-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one ; 1-Methyl-7-nitro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one ; 1-Methylnitrazepam ; Elimin ; Nimetazepam ; Nimetazepamum ; 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-1-methyl-7-nitro-5-phenyl- .