Fingolimod lauryl sulfateProduct ingredient for Fingolimod
- Name
- Fingolimod lauryl sulfate
- 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
- DBSALT003487
- Structure
Structure for Fingolimod lauryl sulfate (DBSALT003487)
- Synonyms
- SULFURIC ACID, MONODODECYL ESTER, COMPD. WITH 2-AMINO-2-(2-(4-OCTYLPHENYL)ETHYL)-1,3-PROPANEDIOL (1:1) / TASCENSO
- UNII
- J3HZQ9BE2S
- CAS Number
- 1967800-35-6
- Weight
- Average: 573.87
Monoisotopic: 573.406309798 - Chemical Formula
- C31H59NO6S
- InChI Key
- XTLZVNMZICNQBB-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H33NO2.C12H26O4S/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h9-12,21-22H,2-8,13-16,20H2,1H3;2-12H2,1H3,(H,13,14,15)
- IUPAC Name
- (dodecyloxy)sulfonic acid; 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol
- SMILES
- CCCCCCCCCCCCOS(O)(=O)=O.CCCCCCCCC1=CC=C(CCC(N)(CO)CO)C=C1
- External Links
- Not Available
- Predicted Properties
Property Value Source logP 4.06 Chemaxon 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 24 Chemaxon Refractivity 93.28 m3·mol-1 Chemaxon Polarizability 38.92 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon