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Fingolimod-[d4] Hydrochloride

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General Information
Catalog: BLP-011582
CAS: 1346604-90-7
Molecular Formula: C19H30D4ClNO2
Molecular Weight: 347.96

Chemical Structure

Description	Fingolimod-[d4] Hydrochloride is the labelled salt 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 Hydrochloride; 2-Amino-2-(2-(4-octylphenyl)ethyl)propane-1,3-diol-d4 Hydrochloride; FTY720-d4 Hydrochloride
IUPAC Name	2-amino-1,1,3,3-tetradeuterio-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol;hydrochloride
Related CAS	162359-56-0 (unlabelled) 162359-55-9 (unlabelled free base)
Canonical SMILES	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N.Cl
InChI	InChI=1S/C19H33NO2.ClH/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;1H/i15D2,16D2;
InChI Key	SWZTYAVBMYWFGS-JWIOGAFXSA-N
Melting Point	105-107°C
Purity	≥99% by HPLC; 99% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	White Solid
Storage	Store at 2-8°C