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| CAS No.: | 1649-18-9 |
|---|---|
| Name: | Azaperone |
| Molecular Structure: | |
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| Formula: | C19H22FN3O |
| Molecular Weight: | 327.402 |
| Synonyms: | Butyrophenone,4'-fluoro-4-[4-(2-pyridyl)-1-piperazinyl]- (6CI,8CI);4'-Fluoro-4-[4-(2-pyridyl)-1-piperazinyl]butyrophenone;Fluoperidol;NSC 170976;R-1929;Stresnil;Suicalm; |
| EINECS: | 216-715-8 |
| Density: | 1.168 g/cm3 |
| Melting Point: | 87-89 °C |
| Boiling Point: | 499.46 °C at 760 mmHg |
| Flash Point: | 255.864 °C |
| Solubility: | very slightly Soluble in water |
| Appearance: | Off-white solid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| Safety: | 3/14 |
| Transport Information: | UN2811 6.1/PG 3 |
| PSA: | 36.44000 |
| LogP: | 3.00870 |
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Specification
The Azaperone, with the CAS registry number 1649-18-9, is also known as 4'-Fluoro-4-[4-(2-pyridyl)-1-piperazinyl]butyrophenone. It belongs to the product categories of Active Pharmaceutical Ingredients; Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 216-715-8. This chemical's molecular formula is C19H22FN3O and molecular weight is 327.40. What's more, its systematic name is 1-(4-Fluorophenyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-1-butanone. Its classification codes are: (1)Antipsychotic; (2)Antipsychotic Agents; (3)Central Nervous System Agents; (4)Central Nervous System Depressants; (5)Dopamine Agents; (6)Dopamine antagonists; (7)Drug / Therapeutic Agent; (8)Hypnotics and Sedatives; (9)Neurotransmitter Agents; (10)Psychotropic Drugs; (11)Tranquilizing Agents. This chemical is harmful if swallowed. It is a pyridinylpiperazine and butyrophenone neuroleptic drug with sedative and antiemetic effects, which is used mainly as a tranquilizer in veterinary medicine. It is used mainly in pigs and elephants.
Physical properties of Azaperone are: (1)ACD/LogP: 3.044; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.19; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 15.46; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 137.59; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 36.44 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 91.668 cm3; (15)Molar Volume: 280.197 cm3; (16)Polarizability: 36.34×10-24cm3; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.168 g/cm3; (19)Flash Point: 255.864 °C; (20)Enthalpy of Vaporization: 76.786 kJ/mol; (21)Boiling Point: 499.46 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C(=O)CCCN3CCN(c2ncccc2)CC3
(2)Std. InChI: InChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2
(3)Std. InChIKey: XTKDAFGWCDAMPY-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LDLo | oral | > 20mg/kg (20mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE | Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1798, 1974. |
| dog | LDLo | subcutaneous | > 40mg/kg (40mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE | Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1798, 1974. |
| guinea pig | LD50 | oral | 202mg/kg (202mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1798, 1974. |
| mouse | LD50 | intraperitoneal | 63mg/kg (63mg/kg) | BEHAVIORAL: REGIDITY BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Farmaco, Edizione Scientifica. Vol. 35, Pg. 605, 1980. |
| mouse | LD50 | intravenous | 42mg/kg (42mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR | Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1798, 1974. |
| mouse | LD50 | oral | 385mg/kg (385mg/kg) | BEHAVIORAL: TREMOR SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1798, 1974. |
| mouse | LD50 | subcutaneous | 179mg/kg (179mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 185, 1972. | |
| rat | LD50 | intravenous | 25mg/kg (25mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 185, 1972. | |
| rat | LD50 | oral | 245mg/kg (245mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE | Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1798, 1974. |
| rat | LD50 | subcutaneous | 450mg/kg (450mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: TREMOR | Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1798, 1974. |