DIHYDROERGOTAMINE MESYLATE

Base Information

• Chemical Name: DIHYDROERGOTAMINE MESYLATE
• CAS No.: 11032-41-0
• Molecular Formula: C34H41N5O8S
• Molecular Weight: 679.78
• European Community (EC) Number: 228-235-6
• Wikidata: Q16633838
• ChEMBL ID: CHEMBL1396675
• Mol file: 11032-41-0.mol

Synonyms:8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine,ergotoxine deriv.; Indolo[4,3-fg]quinoline, ergotoxine deriv.;9,10-Dihydroergotoxine; Co-dergocrine; DCCK; DHETX; Dihydroergotoxin;Dihydroergotoxine

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of DIHYDROERGOTAMINE MESYLATE

Chemical Property:

• PSA: 180.96000
• LogP: 2.87050
• 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:

• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

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]5CC6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O
• 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
• Uses: Cognition adjuvant.
• Therapeutic Function: Vasodilator