N-[2(4-(-Octylphenyl))butanoic Acid] Fingolimod-d4
Product Code
TRC-O293857-25MG
Product Format
Neat
Molecular Formula
C37H55D4NO4
Molecular Weight
585.89
Product Categories
Product Type
Stable Isotope LabelledUnlabelled CAS Number
Product Information
Chemical Data
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
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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