Ziprasidone monohydrochloride monohydrate

C₂₁H₂₄Cl₂N₄O₂SCAS 138982-67-9467.41 g/mol

Open in Covalent MOL file

Aryl halide Tertiary amine

Properties

Molecular formula: C₂₁H₂₄Cl₂N₄O₂S
Molar mass: 467.41 g/mol
Exact mass: 466.0997 Da
logP: 4.06Crippen estimate
Polar surface area: 83.5 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4

Identifiers

CAS number

138982-67-9

SMILES

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

InChIKey

ZCBZSCBNOOIHFP-UHFFFAOYSA-N

InChI

InChI=1S/C21H21ClN4OS.ClH.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;;/h1-4,11,13H,5-10,12H2,(H,23,27);1H;1H2

Weigh it out

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

Names and synonyms

4 names

2H-Indol-2-one, 5-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-, hydrochloride, hydrate (1:1:1)
2H-Indol-2-one, 5-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-, monohydrochloride, monohydrate
5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl)ethyl]-6-chloro-1,3-dihydro-2H-indol-2-one hydrochloride monohydrate
Ziprasidone hydrochloride monohydrate

Work with Ziprasidone monohydrochloride monohydrate

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 hydrochloride122883-93-695 % similar Ziprasidone146939-27-790 % similar Ziprasidone mesylate hydrate199191-69-080 % similar 5-(2-Chloroethyl)-6-chlorooxindole118289-55-743 % similar Sm 9018129273-38-742 % similar 3-(1-Piperazinyl)-1,2-benzisothiazole hydrochloride144010-02-642 % similar 3-Piperazin-1-yl-benzo[D]isothiazole hydrochloride87691-88-142 % similar Lurasidone hydrochloride367514-88-337 % similar

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

Elsewhere

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