Fingolimod hydrochlorideProduct ingredient for Fingolimod

Show full entry for Fingolimod
Name
Fingolimod hydrochloride
Drug Entry
Fingolimod

Multiple sclerosis, or MS, is a devastating inflammatory disease that often progresses and causes severe neurological, physical, and cognitive effects.3 Fingolimod is a sphingosine 1-phosphate receptor modulator for the treatment of relapsing-remitting multiple sclerosis. It was developed by Novartis and initially approved by the FDA in 2010.12 Fingolimod was also studied for the treatment of COVID-19, the disease caused by infection with the SARS-CoV-2 virus.13,14

See full entry for Fingolimod
Accession Number
DBSALT000580
Structure
Similar Structures
Synonyms
Fingolimod HCl
UNII
G926EC510T
CAS Number
162359-56-0
Weight
Average: 343.932
Monoisotopic: 343.227807044
Chemical Formula
C19H34ClNO2
InChI Key
SWZTYAVBMYWFGS-UHFFFAOYSA-N
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
IUPAC Name
2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol hydrochloride
SMILES
Cl.CCCCCCCCC1=CC=C(CCC(N)(CO)CO)C=C1
PubChem Compound
107969
ChemSpider
97086
ChEBI
63112
ChEMBL
CHEMBL544665
Wikipedia
Fingolimod
Predicted Properties
PropertyValueSource
Water Solubility0.0069 mg/mLALOGPS
logP4ALOGPS
logP4.06Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)14.41Chemaxon
pKa (Strongest Basic)9.38Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area66.48 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity93.28 m3·mol-1Chemaxon
Polarizability38.91 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon