Ziprasidone hydrochloride

C₂₁H₂₂Cl₂N₄OSCAS 122883-93-6449.39 g/mol

Open in Covalent MOL file

Aryl halide Tertiary amine

Properties

Molecular formula: C₂₁H₂₂Cl₂N₄OS
Molar mass: 449.39 g/mol
Exact mass: 448.0891 Da
Melting point: above 300 °C
logP: 4.88Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation33.3% of notifiers
H317 May cause an allergic skin reaction66.7% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

122883-93-6

SMILES

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

InChIKey

NZDBKBRIBJLNNT-UHFFFAOYSA-N

InChI

InChI=1S/C21H21ClN4OS.ClH/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

Weigh it out

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-, hydrochloride (1:1)
2H-Indol-2-one, 5-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-, monohydrochloride
CP 88059-1
5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl)ethyl]-6-chloro-1,3-dihydro-2H-indol-2-one hydrochloride
Zeldox
Zipsydon
Azona

Work with Ziprasidone hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ziprasidone monohydrochloride monohydrate138982-67-9Hydrate Ziprasidone146939-27-7Free base Ziprasidone mesylate hydrate199191-69-0Salt

Similar compounds

5-(2-Chloroethyl)-6-chlorooxindole118289-55-745 % similar SM 9018129273-38-744 % similar 3-(1-Piperazinyl)-1,2-benzisothiazole hydrochloride144010-02-644 % similar 3-Piperazin-1-yl-benzo[d]isothiazole hydrochloride87691-88-144 % similar Lurasidone hydrochloride367514-88-339 % similar 3-(1-Piperazinyl)-1,2-benzisothiazole87691-87-039 % similar Ropinirole hydrochloride91374-20-838 % similar Lurasidone367514-87-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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