chempirical

Ziprasidone

C21H21ClN4OSCAS 146939-27-7412.94 g/mol

Open in Covalent MOL file
OHNClNNNS
Aryl halideTertiary amine

Properties

Molecular formula
C21H21ClN4OS
Molar mass
412.94 g/mol
Exact mass
412.1125 Da
Melting point
304 °C
logP
4.46Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

Identifiers

CAS number
146939-27-7
SMILES
OC1=Nc2cc(Cl)c(CCN3CCN(c4nsc5ccccc45)CC3)cc2C1
InChIKey
MVWVFYHBGMAFLY-UHFFFAOYSA-N
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)

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

Names and synonyms

7 names
  • 2H-Indol-2-one, 5-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-
  • 5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-2H-indol-2-one
  • 5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-2-indolinone
  • CP 88059
  • Geodon
  • 5-[2-[4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one
  • Zeldox

Work with Ziprasidone

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 Ziprasidone monohydrochloride monohydrate138982-67-990 % similar Ziprasidone mesylate hydrate199191-69-079 % similar 5-(2-Chloroethyl)-6-chlorooxindole118289-55-747 % similar 3-(1-Piperazinyl)-1,2-benzisothiazole87691-87-041 % similar Sm 9018129273-38-740 % similar 3-(1-Piperazinyl)-1,2-benzisothiazole hydrochloride144010-02-639 % similar 3-Piperazin-1-yl-benzo[D]isothiazole hydrochloride87691-88-139 % similar

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

Elsewhere

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