Azaperone

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: