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CHEBI:4562 - dihydroergotamine
| Formula | C33H37N5O5 |
| Net Charge | 0 |
| Average Mass | 583.689 |
| Monoisotopic Mass | 583.27947 |
| SMILES | [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/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/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1 |
| InChIKey | LUZRJRNZXALNLM-JGRZULCMSA-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. non-narcotic analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors. sympatholytic agent Any compound which inhibits the postganglionic functioning of the sympathetic nervous system (SNS). dopamine agonist A drug that binds to and activates dopamine 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. non-narcotic analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors. sympatholytic agent Any compound which inhibits the postganglionic functioning of the sympathetic nervous system (SNS). dopamine agonist A drug that binds to and activates dopamine receptors. vasoconstrictor agent Drug used to cause constriction of the blood vessels. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| dihydroergotamine (CHEBI:4562) has role dopamine agonist (CHEBI:51065) |
| dihydroergotamine (CHEBI:4562) has role non-narcotic analgesic (CHEBI:35481) |
| dihydroergotamine (CHEBI:4562) has role serotonergic agonist (CHEBI:35941) |
| dihydroergotamine (CHEBI:4562) has role sympatholytic agent (CHEBI:66991) |
| dihydroergotamine (CHEBI:4562) has role vasoconstrictor agent (CHEBI:50514) |
| dihydroergotamine (CHEBI:4562) is a ergot alkaloid (CHEBI:23943) |
| dihydroergotamine (CHEBI:4562) is a semisynthetic derivative (CHEBI:72588) |
| Incoming Relation(s) |
| dihydroergotamine mesylate (CHEBI:59756) has part dihydroergotamine (CHEBI:4562) |
| dihydroergotamine tartrate (CHEBI:59757) has part dihydroergotamine (CHEBI:4562) |
| IUPAC Name |
|---|
| (10αH)-5'α-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman |
| INNs | Source |
|---|---|
| dihidroergotamina | ChemIDplus |
| dihydroergotamine | KEGG DRUG |
| dihydroergotaminum | ChemIDplus |
| Synonyms | Source |
|---|---|
| 5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman | NIST Chemistry WebBook |
| 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione | NIST Chemistry WebBook |
| 9,10-dihydroergotamine | ChemIDplus |
| Dihydroergotamine | KEGG COMPOUND |
| Citations |
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