Analyte Name

3-(4-Octylphenethyl)-fingolimod Hydrochloride

Molecular Formula

C35 H57 N O2 . HCl

Molecular Weight

560.29352

Accurate Mass

559.4156

SMILES

NC(CO)(CO)CCC1=CC(CCC2=CC=C(CCCCCCCC)C=C2)=C(CCCCCCCC)C=C1.Cl

InChI

InChI=1S/C35H57NO2.ClH/c1-3-5-7-9-11-13-15-30-17-19-31(20-18-30)21-24-34-27-32(25-26-35(36,28-37)29-38)22-23-33(34)16-14-12-10-8-6-4-2;/h17-20,22-23,27,37-38H,3-16,21,24-26,28-29,36H2,1-2H3;1H

IUPAC

2-amino-2-[2-[4-octyl-3-[2-(4-octylphenyl)ethyl]phenyl]ethyl]propane-1,3-diol;hydrochloride

Alternate CAS Number

Base: 851039-24-2

Country of Origin

CANADA

Product Format

Neat