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Fingolimod-[d4]

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General Information
Catalog: BLP-011581
CAS: 1346747-38-3
Molecular Formula: C19H29D4NO2
Molecular Weight: 311.50

Chemical Structure

Description	Fingolimod-[d4] is the labelled analogue of Fingolimod. Fingolimod is an antagonist of S1P which is an extracellular lipid mediator. Fingolimod has been used as an immunomodulating drug to treat multiple sclerosis (MS).
Synonyms	Fingolimod-d4; 2-Amino-2-(2-(4-octylphenyl)ethyl)propane-1,3-diol-d4; 2-amino-2-(4-octylphenethyl)propane-1,1,3,3-d4-1,3-diol; FTY720-d4
IUPAC Name	2-amino-1,1,3,3-tetradeuterio-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol
Related CAS	162359-55-9 (unlabelled) 162359-56-0 (unlabelled hydrochloride)
Canonical SMILES	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N
InChI	InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3/i15D2,16D2
InChI Key	KKGQTZUTZRNORY-ONNKGWAKSA-N
Purity	≥98% by HPLC; 98% atom D
Solubility	Soluble in Chloroform (Very Slightly, Heated), DMSO (Slightly, Heated), Methanol (Slightly, Heated)
Appearance	White Solid
Storage	Store at 2-8°C