chempirical

Fingolimod hydrochloride

C19H34ClNO2CAS 162359-56-0343.94 g/mol

Open in Covalent MOL file
NH2OHOHHCl
AlcoholPrimary amine

Properties

Molecular formula
C19H34ClNO2
Molar mass
343.94 g/mol
Exact mass
343.2278 Da
Melting point
107–108 °C
logP
3.63Crippen estimate
Polar surface area
66.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
12

Identifiers

CAS number
162359-56-0
SMILES
CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1.Cl
InChIKey
SWZTYAVBMYWFGS-UHFFFAOYSA-N
InChI
InChI=1S/C19H33NO2.ClH/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22;/h9-12,21-22H,2-8,13-16,20H2,1H3;1H

Weigh it out

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

Names and synonyms

7 names
  • 1,3-Propanediol, 2-amino-2-[2-(4-octylphenyl)ethyl]-, hydrochloride (1:1)
  • 1,3-Propanediol, 2-amino-2-[2-(4-octylphenyl)ethyl]-, hydrochloride
  • FTY 720
  • 2-Amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol hydrochloride
  • Gilenya
  • Imusera
  • 2-Amino-[2-(4-octylphenyl)ethyl]-1,3-propanediol hydrochloride

Work with Fingolimod 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

Similar compounds

Fingolimod162359-55-991 % similar 1-Nonyl-4-phenol104-40-546 % similar 4-Dodecylaniline104-42-746 % similar 1-Bromo-4-dodecylbenzene126930-72-146 % similar 4-Octylbenzenamine16245-79-746 % similar 4-N-Octylphenol1806-26-446 % similar 4-N-Heptylphenol1987-50-446 % similar 4-Hexylaniline33228-45-446 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook