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CHEBI:59756 - dihydroergotamine mesylate
| Formula | C33H37N5O5.CH4O3S |
| Net Charge | 0 |
| Average Mass | 679.796 |
| Monoisotopic Mass | 679.26758 |
| SMILES | CS(=O)(=O)O.[H][C@@]12Cc3cnc4cccc(c34)[C@@]1([H])C[C@@H](C(=O)N[C@]1(C)O[C@]3(O)N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@]13[H])CN2C |
| InChI | InChI=1S/C33H37N5O5.CH4O3S/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,23-,25-,26+,27+,32-,33+;/m1./s1 |
| InChIKey | ADYPXRFPBQGGAH-UMYZUSPBSA-N |
| Roles Classification |
|---|
| Biological Roles: | non-narcotic analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors. 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: | non-narcotic analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors. 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. vasoconstrictor agent Drug used to cause constriction of the blood vessels. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| dihydroergotamine mesylate (CHEBI:59756) has part dihydroergotamine (CHEBI:4562) |
| dihydroergotamine mesylate (CHEBI:59756) has role non-narcotic analgesic (CHEBI:35481) |
| dihydroergotamine mesylate (CHEBI:59756) has role serotonergic agonist (CHEBI:35941) |
| dihydroergotamine mesylate (CHEBI:59756) has role vasoconstrictor agent (CHEBI:50514) |
| dihydroergotamine mesylate (CHEBI:59756) is a methanesulfonate salt (CHEBI:38037) |
| IUPAC Name |
|---|
| (10αH)-5'α-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman methanesulfonate |
| Synonyms | Source |
|---|---|
| dihydroergotamine methanesulfonate | ChemIDplus |
| dihydroergotamine mesilate | ChemIDplus |
| 9,10-dihydroergotamine mesylate | ChemIDplus |
| dihydroergotamine monomethanesulfonate | ChemIDplus |
| (10αH)-5'α-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman mesylate | ChEBI |
| 9,10-dihydroergotamine methanesulfonate | ChEBI |