2-(4-Octylphenethyl)-fingolimod

Base Information

• Chemical Name: 2-(4-Octylphenethyl)-fingolimod
• CAS No.: 851039-25-3
• Molecular Formula: C35H57NO2
• Molecular Weight: 523.83
• UNII: P7GL7FBD9G

Synonyms:851039-25-3;2-(4-Octylphenethyl)-fingolimod;2-amino-2-[2-[4-octyl-2-[2-(4-octylphenyl)ethyl]phenyl]ethyl]propane-1,3-diol;P7GL7FBD9G;SCHEMBL4924771;2-(4-Octylphenethyl)-fingolimod Hydrochloride;2-Phenethyl fingolimod analog [USP IMPURITY];FINGOLIMOD HYDROCHLORIDE IMPURITY E [EP IMPURITY];1,3-Propanediol, 2-amino-2-[2-[4-octyl-2-[2-(4-octylphenyl)ethyl]phenyl]ethyl]-

Chemical Property of 2-(4-Octylphenethyl)-fingolimod

Chemical Property:

• Boiling Point: 668.2±55.0 °C(Predicted)
• Density: 0.992±0.06 g/cm3(Predicted)
• XLogP3: 10.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 22
• Exact Mass: 523.43893006
• Heavy Atom Count: 38
• Complexity: 540

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

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Useful:

• Canonical SMILES: CCCCCCCCC1=CC=C(C=C1)CCC2=C(C=CC(=C2)CCCCCCCC)CCC(CO)(CO)N
• Uses: 2-(4-Octylphenethyl)-fingolimod?is an impurity of the drug Fingolimod hydrochloride (F805000), an immunosuppressive agent that prolongs allograft transplant survival in numerous models by inhibiting lymphocyte emigration from lymphoid organs.

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