fingolimod hydrochloride (CHEBI:63112)

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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

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.

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)

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

Last Modified

25 May 2022