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Methylergonovine

Base Information Edit
  • Chemical Name:Methylergonovine
  • CAS No.:113-42-8
  • Deprecated CAS:479-03-8,78207-86-0,29477-86-9,29589-73-9
  • Molecular Formula:C20H25 N3 O2
  • Molecular Weight:339.437
  • Hs Code.:
  • European Community (EC) Number:204-027-0
  • UNII:W53L6FE61V
  • DSSTox Substance ID:DTXSID00904978
  • Nikkaji Number:J5.132B
  • Wikipedia:Methylergometrine
  • Wikidata:Q424477
  • NCI Thesaurus Code:C74105
  • RXCUI:6883
  • Pharos Ligand ID:L2WSJKLTBK56
  • Metabolomics Workbench ID:42727
  • ChEMBL ID:CHEMBL1201356
  • Mol file:113-42-8.mol
Methylergonovine

Synonyms:Méthergin;Methergin;Methergine;Methylergobasin;Methylergometrin;Methylergometrine;Methylergometrine Maleate;Methylergonovine;Methylergonovine Maleate

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

Chemical Property of Methylergonovine Edit
Chemical Property:
  • Vapor Pressure:3.6E-17mmHg at 25°C 
  • Melting Point:172-173℃ (decomposition) 
  • Refractive Index:1.6650 (estimate) 
  • Boiling Point:638.4 °C at 760 mmHg 
  • PKA:pKa 6.65± 0.03(H2O,t =24,I<0.01)(Approximate) 
  • Flash Point:339.9 °C 
  • PSA:68.36000 
  • Density:1.28 g/cm3 
  • LogP:2.25350 
  • Storage Temp.:Desiccate at RT 
  • XLogP3:2.3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:4
  • Exact Mass:339.19467705
  • Heavy Atom Count:25
  • Complexity:549
Purity/Quality:
Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C
  • Isomeric SMILES:CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C
  • Recent ClinicalTrials:Prophylactic Methylergonovine for Twin Cesarean
  • Recent EU Clinical Trials:Efficacy of methylergometrine daily administration in puerperium
  • Uses Methylergonovine is a drug currently used as a smooth muscle constrictor during postpartum hemorrhage, as an inhibitor of the inflammasome complex in ASC-mediated procaspase-1 activation screening. This compound is a homologue of ergonovine.It is used in the treatment of postpartumhemorrhage. Oxytocic.
  • Therapeutic Function Oxytocic
Technology Process of Methylergonovine

There total 9 articles about Methylergonovine 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:
Guidance literature:
With sodium hydrogencarbonate; In dichloromethane; water; at 20 ℃; for 0.5h;
Guidance literature:
Multi-step reaction with 2 steps
2: aq.-ethanolic KOH
With potassium hydroxide;
DOI:10.1002/hlca.19430260326
Refernces Edit