Ziprasidone

The Ziprasidone, with the CAS registry number 146939-27-7, is also known as 5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-2-indolinone. This chemical's molecular formula is C₂₁H₂₁ClN₄OS and molecular weight is 412.94. It belongs to the product categories of Active Pharmaceutical Ingredients; Intermediates & Fine Chemicals; Isotope Labeled Compounds; Pharmaceuticals; Heterocycles; Isotope Labelled Compounds; Sulfur & Selenium Compounds. What's more, its systematic name is 5-{2-[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]ethyl}-6-chloro-1,3-dihydro-2H-indol-2-one. Its classification codes are: (1)Antipsychotic agents; (2)Central Nervous System Agents; (3)Central Nervous System Depressants; (4)Dopamine Agents; (5)Dopamine antagonists; (6)Neurotransmitter Agents; (7)Psychotopic Drugs; (8)Serotonin Agents; (9)Serotonin antagonists; (10)Tranquilizing Agents. This chemical is a benzisothiazoylpiperazine derivative, and it has combined dopamine and serotonin receptor antagonist activity; structurally related to tiospirone. It can be used as an antipsychotic. In the United States, Ziprasidone is Food and Drug Administration (FDA) approved for the treatment of schizophrenia, and the intramuscular injection form of ziprasidone is approved for acute agitation in schizophrenic patients. Ziprasidone has also received approval for acute treatment of mania and mixed states associated with bipolar disorder.

Physical properties of Ziprasidone are: (1)ACD/LogP: 2.973; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 22.32; (7)ACD/KOC (pH 5.5): 1.51; (8)ACD/KOC (pH 7.4): 205.88; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 76.71 Å²; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 114.093 cm³; (15)Molar Volume: 301.429 cm³; (16)Polarizability: 45.23×10^-24cm³; (17)Surface Tension: 61.47 dyne/cm; (18)Density: 1.37 g/cm³; (19)Flash Point: 289.344 °C; (20)Enthalpy of Vaporization: 83.598 kJ/mol; (21)Boiling Point: 554.819 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C5Nc1c(cc(c(Cl)c1)CCN4CCN(c3nsc2ccccc23)CC4)C5
(2)Std. InChI: InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
(3)Std. InChIKey: MVWVFYHBGMAFLY-UHFFFAOYSA-N