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CHEBI:63112 - fingolimod hydrochloride
| Formula | C19H33NO2.HCl |
| Net Charge | 0 |
| Average Mass | 343.939 |
| Monoisotopic Mass | 343.22781 |
| SMILES | CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1.Cl |
| 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 |
| Roles Classification |
|---|
| Biological Roles: | 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. sphingosine-1-phosphate receptor agonist An agonist that binds to and activates sphingosine 1-phosphate receptors. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. 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 Relation(s) |
| fingolimod hydrochloride (CHEBI:63112) has part fingolimod(1+) (CHEBI:63113) |
| fingolimod hydrochloride (CHEBI:63112) has role antineoplastic agent (CHEBI:35610) |
| 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 benzenes (CHEBI:22712) |
| fingolimod hydrochloride (CHEBI:63112) is a hydrochloride (CHEBI:36807) |
| fingolimod hydrochloride (CHEBI:63112) is a organic molecular entity (CHEBI:50860) |
| IUPAC Name |
|---|
| 2-amino-2-[2-(4-octylphenyl) ethyl]-1,3-propanediol hydrochloride |
| Synonyms | Source |
|---|---|
| 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 (as hydrochloride) | ChEMBL |
| Fingolimod HCl | ChemIDplus |
| Fingolimod hydrochlorid | ChEMBL |
| Fingolimod hydrochloride | ChEMBL |
| Brand Names | Source |
|---|---|
| Fingolimod accord | ChEMBL |
| Fingolimod mylan | ChEMBL |
| Gilenya | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| D04187 | KEGG DRUG |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7837310 | Reaxys |
| CAS:162359-56-0 | ChemIDplus |
| Citations |
|---|