Halofantrine

Base Information

• Chemical Name: Halofantrine
• CAS No.: 69756-53-2
• Deprecated CAS: 66051-63-6
• Molecular Formula: C₂₆H₃₀Cl₂F₃NO
• Molecular Weight: 500.432
• European Community (EC) Number: 274-104-1
• UNII: Q2OS4303HZ
• DSSTox Substance ID: DTXSID0023119
• Nikkaji Number: J18.879D
• Wikipedia: Halofantrine
• Wikidata: Q947595
• NCI Thesaurus Code: C65838
• Pharos Ligand ID: 5NA6TMJL1HKN
• Metabolomics Workbench ID: 143600
• ChEMBL ID: CHEMBL1107
• Mol file: 69756-53-2.mol

Synonyms:1-(1,3-dichloro-6-trifluoromethyl-9-phenanthryl)-3-di(n-butyl)aminopropanol HCl;Halfan;halofantrine;halofantrine hydrochloride;WR 171,699;WR 171669;WR-171,669;WR-171699

Chemical Property of Halofantrine

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 4.62E-15mmHg at 25°C
• Melting Point: 136-138oC
• Refractive Index: 1.577
• Boiling Point: 596.2 °C at 760 mmHg
• Flash Point: 314.4 °C
• PSA: 23.47000
• Density: 1.244 g/cm³
• LogP: 8.64430
• Storage Temp.: 2-8°C
• Water Solubility.: 0.59mg/L(37 oC)
• XLogP3: 8.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 499.1656545
• Heavy Atom Count: 33
• Complexity: 584

Purity/Quality:

98%,99%, ^*data from raw suppliers

Halofantrine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O
• Indications: Halofantrine is indicated only for the treatment of multidrug-resistant Plasmodium falciparum malaria.
• Description: Halofantrine is an orally-active blood schizonticide reportedly highly effective in the treatment of fulcipurum malaria and other types of parasitemia. Cure rate is claimed to be over 95%.
• Clinical Use: Treatment of multidrug-resistant falciparum malaria Its use has been questioned due to the existence of safer alternatives.

Technology Process of Halofantrine

There total 1 articles about Halofantrine 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:

N,N-Dibutyl-3-(1,3-dichloro-6-trifluoromethyl-phenanthren-9-yl)-3-hydroxy-propionamide (94133-70-7) → halofantrine (69756-53-2,66051-74-9,66051-76-1)

Guidance literature:

With diborane; In tetrahydrofuran;

DOI:10.1021/jm00277a018

Reference yield:

halofantrine (69756-53-2,66051-74-9,66051-76-1) → desbutylhalofantrine (69756-48-5)

Guidance literature:

in vivo degradation in human;

DOI:10.1002/jps.2600740413

upstream raw materials:

N,N-Dibutyl-3-(1,3-dichloro-6-trifluoromethyl-phenanthren-9-yl)-3-hydroxy-propionamide

Downstream raw materials:

desbutylhalofantrine