Ziprasidone mesylate hydrate

C₂₂H₂₇ClN₄O₅S₂CAS 199191-69-0527.05 g/mol

Open in Covalent MOL file

Aryl halide Sulfonic acid Tertiary amine

Properties

Molecular formula: C₂₂H₂₇ClN₄O₅S₂
Molar mass: 527.05 g/mol
Exact mass: 526.1111 Da
logP: 3.14Crippen estimate
Polar surface area: 137.8 Å²
H-bond donors / acceptors: 2 / 7
Rotatable bonds: 4

Identifiers

CAS number

199191-69-0

SMILES

CS(=O)(=O)O.O.OC1=Nc2cc(Cl)c(CCN3CCN(c4nsc5ccccc45)CC3)cc2C1

InChIKey

DCWBBAAVZUMJRR-UHFFFAOYSA-N

InChI

InChI=1S/C21H21ClN4OS.CH4O3S.H2O/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);1H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

2H-Indol-2-one, 5-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-, methanesulfonate, hydrate (1:1:3)
2H-Indol-2-one, 5-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-, monomethanesulfonate, trihydrate
Ziprasidone mesylate trihydrate

Work with Ziprasidone mesylate hydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ziprasidone monohydrochloride monohydrate138982-67-980 % similar Ziprasidone146939-27-779 % similar Ziprasidone hydrochloride122883-93-676 % similar 5-(2-Chloroethyl)-6-chlorooxindole118289-55-738 % similar Sm 9018129273-38-735 % similar 3-(1-Piperazinyl)-1,2-benzisothiazole87691-87-033 % similar Lurasidone367514-87-232 % similar 3-(1-Piperazinyl)-1,2-benzisothiazole hydrochloride144010-02-632 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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