Dihydroergotamine mesylate

Base Information

• Chemical Name: Dihydroergotamine mesylate
• CAS No.: 6190-39-2
• Molecular Formula: C34H41N5O8S
• Molecular Weight: 679.794
• Hs Code.: 2939690000
• European Community (EC) Number: 228-235-6
• NSC Number: 759848
• UNII: 81AXN7R2QT
• DSSTox Substance ID: DTXSID00904615
• Wikidata: Q27126884
• NCI Thesaurus Code: C47491
• RXCUI: 203176
• ChEMBL ID: CHEMBL1200517
• Mol file: 6190-39-2.mol

Synonyms:Agit;Angionorm;Clavigrenin;D Tamin retard L.U.T.;D-Tamin retard L.U.T.;D.H.E. 45;DET MS;DHE 45;DHE Puren;DHE ratiopharm;DHE-45;DHE-Puren;DHE-ratiopharm;DHE45;Dihydergot;Dihydroergotamin AL;Dihydroergotamine;Dihydroergotamine Mesylate;Dihydroergotamine Methanesulfonate;Dihydroergotamine Sandoz;Dihydroergotamine-Sandoz;Dihytamin;Erganton;Ergomimet;Ergont;ergotam von ct;Ikaran;Mesylate, Dihydroergotamine;Methanesulfonate, Dihydroergotamine;Migranal;Orstanorm;Seglor;Tamik;Verladyn;Von Ct, Ergotam

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Chemical Property of Dihydroergotamine mesylate

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 232 °C
• Refractive Index: -20 ° (C=0.25, JP Method)
• Boiling Point: 899.5 °C at 760 mmHg
• Flash Point: 497.8 °C
• PSA: 180.96000
• LogP: 2.87050
• Storage Temp.: Store at RT
• Solubility.: methanol: 21 mg/mL
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 679.26758446
• Heavy Atom Count: 48
• Complexity: 1260

Purity/Quality:

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O
• Isomeric 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
• Recent ClinicalTrials: Bioavailability of DHE Administered by I123 POD Device, IV Injection, and Migranal Nasal Spray in Healthy Adults
• Recent EU Clinical Trials: An Open-Label, 2-Period, Crossover Phase 2 Study Comparing the Pharmacokinetics and Tolerability of Dihydroergotamine Mesylate (DHE) Delivered Intravenously (DHE 45) and by Oral Inhalation (MAP0004) in Smoking and Non-Smoking Adult Volunteers
• Description: Dihydroergotamine mesylate (6190-39-2) is a full agonist at serotonin 5HT1B and 5HT1D receptors, IC50= 2 and 2.2 nM respectively1 and also at 5HT1A and 5HT1F receptors2. One of the oldest agents for treatment of migraine.3 Also acts as a potent vasoconstrictor and alpha-adrenergic antagonist.4
• Uses: α-Androgenic blocker with selective venoconstrictor properties. Also binds to serotonin 5HT1-receptors. Antimigraine. vasoconstrictor, antimigraine Agonist at vascular serotonin receptors; partial agonist at alpha-adrenergic and dopamine D2 receptors