cis-Flupentixol hydrochloride

C₂₃H₂₇Cl₂F₃N₂OSCAS 51529-01-2507.44 g/mol

Open in Covalent MOL file

Alcohol Alkene Alkyl halide Sulfide Tertiary amine

Properties

Molecular formula: C₂₃H₂₇Cl₂F₃N₂OS
Molar mass: 507.44 g/mol
Exact mass: 506.1173 Da
logP: 5.45Crippen estimate
Polar surface area: 26.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 5
Double bonds: ZE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

51529-01-2

SMILES

C1CN(CCN1CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO.Cl.Cl

InChIKey

IOVDQEIIMOZNNA-MHKBYHAFSA-N

InChI

InChI=1S/C23H25F3N2OS.2ClH/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29;;/h1-2,4-8,16,29H,3,9-15H2;2*1H/b18-5-;;

Weigh it out

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Names and synonyms

1 names

Flupentixol dihydrochloride

Work with cis-Flupentixol 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.

Flupentixol dihydrochloride2413-38-9Stereo not defined

Similar compounds

Zuclopenthixol53772-83-166 % similar Fluphenazine hydrochloride146-56-557 % similar Chlorprothixene hydrochloride6469-93-848 % similar Chlorprothixene113-59-744 % similar Trifluoperazine hydrochloride440-17-543 % similar Trifluoperazine117-89-539 % similar 2-[4-[2-Nitro-4-(trifluoromethyl)phenyl]piperazino]-1-ethanol330633-81-336 % similar Melitracen hydrochloride10563-70-936 % similar

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

Elsewhere

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