CHEBI:63112 - fingolimod hydrochloride

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ChEBI Name fingolimod hydrochloride
ChEBI ID CHEBI:63112
Definition The hydrochloride salt of 2-amino-2-[2-(4-octylphenyl) ethyl]-1,3-propanediol (fingolimod).
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C19H34ClNO2
Net Charge 0
Average Mass 343.93200
Monoisotopic Mass 343.22781
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
InChIKey SWZTYAVBMYWFGS-UHFFFAOYSA-N
SMILES Cl.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1
Roles Classification
Biological Role(s): sphingosine-1-phosphate receptor agonist
An agonist that binds to and activates sphingosine 1-phosphate receptors.
immunosuppressive agent
An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
Application(s): immunosuppressive agent
An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
prodrug
A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing fingolimod hydrochloride (CHEBI:63112) has part fingolimod(1+) (CHEBI:63113)
fingolimod hydrochloride (CHEBI:63112) has role immunosuppressive agent (CHEBI:35705)
fingolimod hydrochloride (CHEBI:63112) has role prodrug (CHEBI:50266)
fingolimod hydrochloride (CHEBI:63112) has role sphingosine-1-phosphate receptor agonist (CHEBI:63114)
fingolimod hydrochloride (CHEBI:63112) is a hydrochloride (CHEBI:36807)
fingolimod hydrochloride (CHEBI:63112) is a organic salt (CHEBI:24868)
IUPAC Name
2-amino-2-[2-(4-octylphenyl) ethyl]-1,3-propanediol hydrochloride
Synonyms Sources
2-Amino-2-(2-(4-octylphenyl)ethyl)-1,3-propanediol hydrochloride ChemIDplus
2-amino-2-(2-(4-octylphenyl)ethyl)propane-1,3-diol hydrochloride ChEBI
Fingolimod HCl ChemIDplus
FTY-720 ChemIDplus
FTY720 ChemIDplus
Brand Name Source
Gilenya ChemIDplus
Manual Xref Database
D04187 KEGG DRUG
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Registry Numbers Types Sources
162359-56-0 CAS Registry Number ChemIDplus
7837310 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
12 February 2019