Fingolimod Lauryl Sulfate

Molecular Weight (g/mol)

573.9

Molecular Formula

C31H59NO6S

InChI

InChI=1S/C19H33NO2.C12H26O4S/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h9-12,21-22H,2-8,13-16,20H2,1H3;2-12H2,1H3,(H,13,14,15)

InChIKey

XTLZVNMZICNQBB-UHFFFAOYSA-N

SMILES

CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N

IUPAC Name

2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol;dodecyl hydrogen sulfate

Exact Mass (Da)

573.40630978

Monoisotopic Mass (Da)

573.40630978