chempirical

Flupentixol dihydrochloride

C23H27Cl2F3N2OSCAS 2413-38-9507.44 g/mol

Open in Covalent MOL file
HClHClOHNNSFFF
AlcoholAlkeneAlkyl halideSulfideTertiary amine

Properties

Molecular formula
C23H27Cl2F3N2OS
Molar mass
507.44 g/mol
Exact mass
506.1173 Da
Melting point
237–239 °C
logP
5.45Crippen estimate
Polar surface area
26.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5

Identifiers

CAS number
2413-38-9
SMILES
Cl.Cl.OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChIKey
IOVDQEIIMOZNNA-UHFFFAOYSA-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

Weigh it out

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

Names and synonyms

8 names
  • 1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-, hydrochloride (1:2)
  • 1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]-, dihydrochloride
  • 1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-, dihydrochloride
  • FX 703
  • Flupentixol hydrochloride
  • Emergil
  • Siplarol
  • Metamin

Work with Flupentixol dihydrochloride

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

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 Melitracen hydrochloride10563-70-936 % similar 2-(Trifluoromethyl)-10H-phenothiazine92-30-835 % similar

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

Elsewhere

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