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CHEBI:53781 - almotriptan malate
| Formula | C17H25N3O2S.C4H6O5 |
| Net Charge | 0 |
| Average Mass | 469.560 |
| Monoisotopic Mass | 469.18827 |
| SMILES | CN(C)CCc1cnc2ccc(CS(=O)(=O)N3CCCC3)cc12.O=C(O)CC(O)C(=O)O |
| InChI | InChI=1S/C17H25N3O2S.C4H6O5/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20;5-2(4(8)9)1-3(6)7/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9) |
| InChIKey | QHATUKWEVNMHRY-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | serotonergic agonist An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders. |
| Applications: | vasoconstrictor agent Drug used to cause constriction of the blood vessels. serotonergic agonist An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders. non-steroidal anti-inflammatory drug An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| almotriptan malate (CHEBI:53781) has part almotriptan (CHEBI:520985) |
| almotriptan malate (CHEBI:53781) has role non-steroidal anti-inflammatory drug (CHEBI:35475) |
| almotriptan malate (CHEBI:53781) has role serotonergic agonist (CHEBI:35941) |
| almotriptan malate (CHEBI:53781) has role vasoconstrictor agent (CHEBI:50514) |
| almotriptan malate (CHEBI:53781) is a malate salt (CHEBI:50220) |
| Synonyms | Source |
|---|---|
| 1-(((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)sulfonyl)pyrrolidine hydroxybutanedioate | ChemIDplus |
| 1-(((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)sulfonyl)pyrrolidine malate | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Beilstein:11352387 | Beilstein |
| CAS:181183-52-8 | ChemIDplus |
| CAS:181183-52-8 | DrugBank |
| CAS:181183-52-8 | KEGG DRUG |