N-[2(4-(-Octylphenyl))butanoic Acid] Fingolimod-d4

Analyte Name

N-[2(4-(-Octylphenyl))butanoic Acid] Fingolimod-d4

Molecular Formula

C37H55D4NO4

Molecular Weight

585.89

Accurate Mass

585.47

SMILES

O=C(C(CCC1=CC=C(C=C1)CCCCCCCC)NC(C([2H])(O)[2H])(C([2H])(O)[2H])CCC2=CC=C(C=C2)CCCCCCCC)O

InChI

InChI=1S/C37H59NO4/c1-3-5-7-9-11-13-15-31-17-21-33(22-18-31)25-26-35(36(41)42)38-37(29-39,30-40)28-27-34-23-19-32(20-24-34)16-14-12-10-8-6-4-2/h17-24,35,38-40H,3-16,25-30H2,1-2H3,(H,41,42)/i29D2,30D2

IUPAC

2-((1-hydroxy-2-(hydroxymethyl-d2)-4-(4-octylphenyl)butan-2-yl-1,1-d2)amino)-4-(4-octylphenyl)butanoic acid

Unlabelled CAS Number

2147726-86-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat