Desbutylhalofantrine

Base Information

• Chemical Name: Desbutylhalofantrine
• CAS No.: 69756-48-5
• Molecular Formula: C₂₂H₂₂Cl₂F₃NO
• Molecular Weight: 444.324
• UNII: 7K35DDV85X
• DSSTox Substance ID: DTXSID40989921
• Nikkaji Number: J445.000K
• Wikidata: Q27268443
• ChEMBL ID: CHEMBL3229137
• Mol file: 69756-48-5.mol

Synonyms:1,3-dichloro-6-trifluoromethyl-9-phenanthryl-3-(n-butyl)aminopropanol;DCTFMP;desbutylhalofantrine;monodesbutylhalofantrine

Chemical Property of Desbutylhalofantrine

Chemical Property:

• Vapor Pressure: 8.42E-14mmHg at 25°C
• Boiling Point: 569.3°C at 760 mmHg
• Flash Point: 298.1°C
• PSA: 32.26000
• Density: 1.316g/cm³
• LogP: 7.52270
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 443.1030542
• Heavy Atom Count: 29
• Complexity: 521

Purity/Quality:

99% ^*data from raw suppliers

DESBUTYLHALOFANTRINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNCCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O

Technology Process of Desbutylhalofantrine

There total 1 articles about Desbutylhalofantrine 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:

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:

halofantrine