chempirical

(±)-Halofantrine hydrochloride

C26H31Cl3F3NOCAS 36167-63-2536.89 g/mol

Open in Covalent MOL file
NHOClClFFFHCl
AlcoholHalogenTertiary Amine

Properties

Molecular formula
C26H31Cl3F3NO
Molar mass
536.89 g/mol
Exact mass
535.1423 Da
Melting point
93–96 °C
logP
9.07Crippen estimate
Polar surface area
23.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
10

Identifiers

CAS number
36167-63-2
SMILES
CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12.Cl
InChIKey
WANGFTDWOFGECH-UHFFFAOYSA-N
InChI
InChI=1S/C26H30Cl2F3NO.ClH/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23;/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3;1H

Weigh it out

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

Names and synonyms

6 names
  • 9-Phenanthrenemethanol, 1,3-dichloro-α-[2-(dibutylamino)ethyl]-6-(trifluoromethyl)-, hydrochloride (1:1)
  • 9-Phenanthrenemethanol, 1,3-dichloro-α-[2-(dibutylamino)ethyl]-6-(trifluoromethyl)-, hydrochloride
  • 9-[3-(Dibutylamino)-1-hydroxypropyl]-1,3-dichloro-6-(trifluoromethyl)phenanthrene hydrochloride
  • WR 171669
  • Halofantrine hydrochloride
  • SKF 102886

Work with (±)-Halofantrine 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

Elsewhere

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