Mono-O-acetyl Fingolimod TFA

Analyte Name

Mono-O-acetyl Fingolimod TFA

CAS Number

2469039-45-8

Molecular Formula

C21H35NO3 . C2HF3O2

Molecular Weight

463.53

Accurate Mass

463.25

SMILES

NC(COC(C)=O)(CO)CCC1=CC=C(CCCCCCCC)C=C1.OC(C(F)(F)F)=O

InChI

InChI=1S/C21H35NO3.C2HF3O2/c1-3-4-5-6-7-8-9-19-10-12-20(13-11-19)14-15-21(22,16-23)17-25-18(2)24;3-2(4,5)1(6)7/h10-13,23H,3-9,14-17,22H2,1-2H3;(H,6,7)

IUPAC

2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl acetate 2,2,2-trifluoroacetate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat