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CHEBI:757560 - siponimod fumaric acid
| Formula | C4H4O4.C29H35F3N2O3.C29H35F3N2O3 |
| Net Charge | 0 |
| Average Mass | 1149.280 |
| Monoisotopic Mass | 1148.53091 |
| SMILES | CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1.CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1.O=C(O)/C=C/C(=O)O |
| InChI | InChI=1S/2C29H35F3N2O3.C4H4O4/c2*1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32;5-3(6)1-2-4(7)8/h2*9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36);1-2H,(H,5,6)(H,7,8)/b2*33-19+;2-1+ |
| InChIKey | JNLIKIBISICTMS-PEJBKAKVSA-N |
| Roles Classification |
|---|
| Biological Role: | 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: | 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| siponimod fumaric acid (CHEBI:757560) has functional parent tetracarboxylic acid (CHEBI:35742) |
| siponimod fumaric acid (CHEBI:757560) has role immunosuppressive agent (CHEBI:35705) |
| siponimod fumaric acid (CHEBI:757560) is a organooxygen compound (CHEBI:36963) |
| Synonyms | Source |
|---|---|
| NVP-BAF312-AEA | ChEMBL |
| Siponimod fumarate | ChEMBL |
| Siponimod fumaric acid | ChEMBL |
| Siponimod hemifumarate | ChEMBL |
| Siponimod hemifumaric acid | ChEMBL |