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Chemical structure of Fingolimod (FTY720) HCl

GC14807

Fingolimod (FTY720) HCl

Also known as 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol;hydrochloride

Fingolimod (FTY720), an immunosuppressant agent, usually used in the treatment of multiple sclerosis, also has anticancer actions and can act as an HDACi (Histone deacetylase inhibitors)[1]

ChemicalCAS162359-56-0MW343.94FormulaC19H34ClNO2
CAS number
162359-56-0
Molecular weight
343.94
Formula
C19H34ClNO2
Solubility
DMSO ： ≥ 100 mg/mL; Water ： 50 mg/mL
InChIKey
SWZTYAVBMYWFGS-UHFFFAOYSA-N
Catalogue number
GC14807
Brand
GLPBIO
Computed properties PubChem CID 107969 · TPSA 66.5 Ų · H-bond donors 4 · H-bond acceptors 3
TPSA
66.5 Ų
H-bond donors
4
H-bond acceptors
3
Rotatable bonds
12
Heavy atoms
23

SMILES CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N.Cl

Computed descriptors from PubChem (CID 107969), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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