The Fluperlapine, with the CAS registry number 67121-76-0, is also known as 3-Fluoro-6-(4-methyl-1-piperazinyl)morphanthridine. This chemical's molecular formula is C19H20FN3 and molecular weight is 309.38. Its IUPAC name is called 3-fluoro-6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine. This chemical's classification codes are Antipsychotic agents; Central Nervous System Agents; Central Nervous System Depressants; Psychotropic Drugs; Tranquilizing Agents.
Physical properties of Fluperlapine: (1)ACD/LogP: 2.42; (2)ACD/LogD (pH 5.5): 0.51; (3)ACD/LogD (pH 7.4): 2.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 26.2; (6)ACD/KOC (pH 5.5): 6.09; (7)ACD/KOC (pH 7.4): 317.66; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.635; (11)Molar Refractivity: 90.56 cm3; (12)Molar Volume: 252.7 cm3; (13)Surface Tension: 43.6 dyne/cm; (14)Density: 1.22 g/cm3; (15)Flash Point: 219.1 °C; (16)Enthalpy of Vaporization: 69.56 kJ/mol; (17)Boiling Point: 438.7 °C at 760 mmHg; (18)Vapour Pressure: 6.74E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1CCN(CC1)C2=NC3=C(CC4=CC=CC=C42)C=CC(=C3)F
(2)InChI: InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3
(3)InChIKey: OBWGMKKHCLHVIE-UHFFFAOYSA-N
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