Fingolimod hydrochlorideProduct ingredient 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
- Accession Number
- DBSALT000580
- Structure
- 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
- External Links
- PubChem Compound
- 107969
- ChemSpider
- 97086
- ChEBI
- 63112
- ChEMBL
- CHEMBL544665
- Wikipedia
- Fingolimod
- Predicted Properties
Property Value Source Water Solubility 0.0069 mg/mL ALOGPS logP 4 ALOGPS logP 4.06 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 14.41 Chemaxon pKa (Strongest Basic) 9.38 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 66.48 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 93.28 m3·mol-1 Chemaxon Polarizability 38.91 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon