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CHEBI:64318 - ergotamine
| Formula | C33H35N5O5 |
| Net Charge | 0 |
| Average Mass | 581.673 |
| Monoisotopic Mass | 581.26382 |
| SMILES | [H][C@@]12Cc3cnc4cccc(c34)C1=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/C33H35N5O5/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/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1 |
| InChIKey | XCGSFFUVFURLIX-VFGNJEKYSA-N |
| Wikipedia |
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| Roles Classification |
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| Biological Roles: | 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. mycotoxin Poisonous substance produced by fungi. alpha-adrenergic agonist An agent that selectively binds to and activates α-adrenergic receptors. non-narcotic analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Applications: | 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. alpha-adrenergic agonist An agent that selectively binds to and activates α-adrenergic receptors. non-narcotic analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors. vasoconstrictor agent Drug used to cause constriction of the blood vessels. oxytocic A drug that stimulates contraction of the myometrium. Oxytocics are used to induce labour, obstetric at term, to prevent or control postpartum or postabortion haemorrhage, and to assess foetal status in high risk pregnancies. They may also be used alone or with other drugs to induce abortions (abortifacients). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ergotamine (CHEBI:64318) has role mycotoxin (CHEBI:25442) |
| ergotamine (CHEBI:64318) has role non-narcotic analgesic (CHEBI:35481) |
| ergotamine (CHEBI:64318) has role oxytocic (CHEBI:36063) |
| ergotamine (CHEBI:64318) has role serotonergic agonist (CHEBI:35941) |
| ergotamine (CHEBI:64318) has role vasoconstrictor agent (CHEBI:50514) |
| ergotamine (CHEBI:64318) has role α-adrenergic agonist (CHEBI:35569) |
| ergotamine (CHEBI:64318) is a peptide ergot alkaloid (CHEBI:25904) |
| ergotamine (CHEBI:64318) is conjugate base of ergotamine(1+) (CHEBI:190463) |
| Incoming Relation(s) |
| ergotamine(1+) (CHEBI:190463) is conjugate acid of ergotamine (CHEBI:64318) |
| IUPAC Name |
|---|
| (5'α)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman |
| INNs | Source |
|---|---|
| ergotamine | KEGG DRUG |
| ergotamina | ChemIDplus |
| ergotaminum | ChemIDplus |
| Synonyms | Source |
|---|---|
| 12'-Hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione | ChemIDplus |
| Gynergen | ChemIDplus |
| Ergotamin | ChemIDplus |
| (5'α)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione | NIST Chemistry WebBook |
| 12'-hydroxy-2'-methyl-5'α-(phenylmethyl)ergotaman-3',6',18-trione | NIST Chemistry WebBook |
| Citations |
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