Dihydroergotamine

Base Information Edit

Chemical Name:Dihydroergotamine
CAS No.:511-12-6
Deprecated CAS:409-63-2,1381-00-6,5965-22-0,6016-53-1,7762-45-0,11019-70-8,17680-45-4,26913-96-2,29087-32-9,47842-41-1,98302-70-6
Molecular Formula:C33H37 N5 O5
Molecular Weight:583.687
Hs Code.:
European Community (EC) Number:208-123-3
UNII:436O5HM03C
DSSTox Substance ID:DTXSID6045614
Nikkaji Number:J6.263D
Wikipedia:Dihydroergotamine
Wikidata:Q421336
NCI Thesaurus Code:C65387
RXCUI:3418
Pharos Ligand ID:PLT1323R3UVZ
Metabolomics Workbench ID:42705
ChEMBL ID:CHEMBL1732
Mol file:511-12-6.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

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

Chemical Property of Dihydroergotamine Edit

Chemical Property:

Vapor Pressure:8.09E-35mmHg at 25°C
Melting Point:239°
Refractive Index:1.727
Boiling Point:899.5°Cat760mmHg
PKA:9?+-.0.60(Predicted)
Flash Point:497.8°C
PSA：118.21000
Density:1.45g/cm³
LogP:2.28570
XLogP3:2.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:583.27946930
Heavy Atom Count:43
Complexity:1160

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

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
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
Recent ClinicalTrials:A Randomized, Double-Blind, Placebo-Controlled Study to Evaluate STS101 in the Acute Treatment of Migraine
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 Anti-adrenergic. Levadex is an intermediate in the synthesis of 2’-Epidihydroergotamine (E584910), which is an ergot alkaloid that exhibits potential neuroprotective properties against degenerative diseases.

Technology Process of Dihydroergotamine

There total 9 articles about Dihydroergotamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 81.0%