ChemSpider 2D Image | Dihydroergotamine mesylate | C34H41N5O8S

Dihydroergotamine mesylate

  • Molecular FormulaC34H41N5O8S
  • Average mass679.783 Da
  • Monoisotopic mass679.267578 Da
  • ChemSpider ID64311
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5'α,10α)-5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman methanesulfonate (1:1) [ACD/IUPAC Name]
(5'α,10α)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman methanesulfonate (salt)
(6aR,9R,10aR)-N-[(2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-ca
(6aR,9R,10aR)-N-[(2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide methanesulfonate (salt)
228-235-6 [EINECS]
6190-39-2 [RN]
81AXN7R2QT
Acide méthanesulfonique - (5'α,10α)-5'-benzyl-12'-hydroxy-2'-méthyl-3',6',18-trioxo-9,10-dihydroergotaman (1:1) [French] [ACD/IUPAC Name]
acide méthanesulfonique - (6aR,9R,10aR)-N-[(2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-méthyl-3,6-dioxooctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-méthyl-4,6,6a,7,8,9,10,10a-octahydroin
acide méthanesulfonique - (6aR,9R,10aR)-N-[(2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-méthyl-3,6-dioxooctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-méthyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoléine-9-carboxamide (1:1)
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DHE 45 [DBID]
3895588 [DBID]
D02211 [DBID]
D2763_SIGMA [DBID]
DHE-45 [DBID]
EU-0100357 [DBID]
MT 300 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Target Organs:

      5-HT Receptor antagonist TargetMol T0524
    • Chemical Class:

      The methanesulfonic acid salt of dihydroergotamine, a semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine. Both the mesylate and the tartrate salts are use d for the treatment of migraine and orthostatic hypotension. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:59756, CHEBI:59756
    • Bio Activity:

      5-HT Receptor MedChem Express HY-B0670A
      5-HT Receptor TargetMol T0524
      7-TM Receptors Tocris Bioscience 475
      Adrenergic Receptors Tocris Bioscience 475
      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio HB1612
      Dihydroergotamine mesylate is an ergot alkaloid used to treat migraines. MedChem Express
      Dihydroergotamine mesylate is an ergot alkaloid used to treat migraines.; Target: 5-HT Receptors; Dihydroergotamine is not as effective as sumatriptan or phenothiazines as a single agent for treatment of acute migraine headache; however, when administered with an antiemetic, dihydroergotamine appears to be as effective as opiates, ketorolac, or valproate. MedChem Express HY-B0670A
      Dihydroergotamine mesylate is an ergot alkaloid used to treat migraines.;Target: 5-HT ReceptorsDihydroergotamine is not as effective as sumatriptan or phenothiazines as a single agent for treatment of acute migraine headache; however, when administered with an antiemetic, dihydroergotamine appears to be as effective as opiates, ketorolac, or valproate. Given its nonnarcotic properties, parenteral dihydroergotamine combined with an antiemetic should be considered as effective initial therapy in clinical practice [1]. The introduction of the intranasal formulation of DHE provides both pharmacologic and patient-convenience advantages for use in migraine therapy [2, 3]. MedChem Express HY-B0670A
      GPCR/G protein MedChem Express HY-B0670A
      GPCR/G protein; Neuronal Signaling; MedChem Express HY-B0670A
      Neuroscience TargetMol T0524
      Non-selective Adrenergic Alpha Receptors Tocris Bioscience 475
      Partial &alpha;-adrenergic agonist, partial D<sub>2</sub> agonist and 5-HT antagonist Hello Bio HB1612
      Partial &alpha;-adrenergic agonist. Also partial D<sub>2</sub> receptor agonist and competitive 5-HT antagonist. Hello Bio HB1612
      Partial ? agonist. Non-selective Tocris Bioscience 0475, 475
      Partial ?-adrenergic agonist. Partial D2 dopaminergic receptor agonist. Competitive 5-HT antagonist. Tocris Bioscience 0475, 475
      Partial alpha agonist. Non-selective Tocris Bioscience 475
      Partial alpha-adrenergic agonist. Partial D2 dopaminergic receptor agonist. Competitive 5-HT antagonist. Tocris Bioscience 475
      Receptors & Transporters/G protein coupled receptors/Adrenoceptors/&alpha;/Non-selective Hello Bio HB1612

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

Click to predict properties on the Chemicalize site






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