API reference
Dihydroergotamine mesylate
- CAS number
- 6190-39-2
- Molecular formula
- C34H41N5O8S
- Molecular weight
- 679.8 g/mol
About this molecule
Dihydroergotamine is only found in individuals that have used or taken this drug. It is a 9,10alpha-dihydro derivative of ergotamine. It is used as a vasoconstrictor, specifically for the therapy of migraine disorders. Two theories have been proposed to explain the efficacy of 5-HT<sub>1D</sub> receptor agonists in migraine: 1) activation of 5-HT<sub>1D</sub> receptors located on intracranial blood vessels, including those on arterio-venous anastomoses, leads to vasoconstriction, which correlates with the relief of migraine headache and 2) activation of 5-HT<sub>1D</sub> receptors on sensory nerve endings of the trigeminal system results in the inhibition of pro-inflammatory neuropeptide release.
Source: Toxin and Toxin Target Database (T3DB), via PubChem.
Identifiers
- IUPAC name
- (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid
- InChIKey
- ADYPXRFPBQGGAH-UMYZUSPBSA-N
- SMILES
- C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O
- PubChem CID
- 71171
Also known as
Dihydroergotamine mesylate · Dihydroergotamine mesilate · Dihydroergotamine methanesulfonate · DHE-45 · 9,10-Dihydroergotamine mesylate · Dihydroergotamine monomethanesulfonate · D.H.E. 45 · Diergo
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