Ziprasidone mesilate (199191-69-0)

The Ziprasidone mesilate, with the CAS registry number 199191-69-0, is also known as 5-[2-[4-(1,2-Benzisothiazol-3yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-2H-indol-2-one mesilate. This chemical's molecular formula is C₂₁H₂₁ClN₄OS^.CH₄O₃S and molecular weight is 509.04. Its IUPAC name is called 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one; methanesulfonic acid. This chemical's classification code is Antipsychotic [central D2 and 5HT2 receptor antagonist].

Physical properties of Ziprasidone mesilate: (1)ACD/LogP: 4.00; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 67.92 Å²; (7)Flash Point: 289.3 °C; (8)Enthalpy of Vaporization: 83.6 kJ/mol; (9)Boiling Point: 554.8 °C at 760 mmHg; (10)Vapour Pressure: 2.38E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CS(=O)(=O)O.C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54
(2)InChI: InChI=1S/C21H21ClN4OS.CH4O3S/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;1-5(2,3)4/h1-4,11,13H,5-10,12H2,(H,23,27);1H3,(H,2,3,4)
(3)InChIKey: LOQSYPGSAZUDJZ-UHFFFAOYSA-N