Cephaeline methyl ether hydrochloride

Base Information

• Chemical Name: Cephaeline methyl ether hydrochloride
• CAS No.: 14198-59-5
• Molecular Formula: C₂₉H₄₀N₂O₄*2ClH
• Molecular Weight: 553.569
• European Community (EC) Number: 206-259-8
• NSC Number: 752340,33669
• DSSTox Substance ID: DTXSID80424947
• NCI Thesaurus Code: C29018
• ChEMBL ID: CHEMBL513000
• Mol file: 14198-59-5.mol

Synonyms:Dihydrochloride, Emetine;Emetine;Emetine Dihydrochloride;Emetine Hydrochloride;Hydrochloride, Emetine;Ipecine;Methylcephaeline

Chemical Property of Cephaeline methyl ether hydrochloride

Chemical Property:

• Boiling Point: 600.3°Cat760mmHg
• Flash Point: 316.9°C
• PSA: 52.19000
• Density: 1.17g/cm³
• LogP: 6.01210
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 516.2754855
• Heavy Atom Count: 36
• Complexity: 679

Purity/Quality:

99%, ^*data from raw suppliers

Emetine hydrochloride United States Pharmacopeia (USP) Reference Standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Cl
• Isomeric SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Cl
• Recent ClinicalTrials: Evaluating Emetine for Viral Outbreaks (EVOLVE)
• Uses: Anti-amebic.