Cephaeline

Base Information

• Chemical Name: Cephaeline
• CAS No.: 483-17-0
• Molecular Formula: C28H38 N2 O4
• Molecular Weight: 466.621
• European Community (EC) Number: 227-463-3,207-591-6
• UNII: QA971541A1
• DSSTox Substance ID: DTXSID501016520
• Nikkaji Number: J5.985D
• Wikipedia: Cephaeline
• Wikidata: Q5063249
• Metabolomics Workbench ID: 53054
• ChEMBL ID: CHEMBL255708
• Mol file: 483-17-0.mol

Synonyms:cephaelin;cephaeline;cephaline;desmethyl-emetine;desmethylemetine

Chemical Property of Cephaeline

Chemical Property:

• Vapor Pressure: 1.15E-15mmHg at 25°C
• Melting Point: 115-1160C
• Refractive Index: 1.5800 (estimate)
• Boiling Point: 614°Cat760mmHg
• PKA: 9.90±0.40(Predicted)
• Flash Point: 325.1°C
• PSA: 63.19000
• Density: 1.21g/cm³
• LogP: 4.90710
• Storage Temp.: -20°C Freezer
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 466.28315770
• Heavy Atom Count: 34
• Complexity: 664

Purity/Quality:

95%-98% ^*data from raw suppliers

Cephaeline ^*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)O)OC)OC)OC
• Isomeric SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
• Uses: Has been used as an emetic and expectorant Cephaeline occurs in the ground roots ofipecac along with emetine. The Brazilian variety usually contains about 0.5%cephaeline. It is used as an emetic and anti amebic reagent.

Technology Process of Cephaeline

There total 5 articles about Cephaeline 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:

→ cephaeline (483-17-0) + isocephaeline (5884-45-7)

Guidance literature:

With ethanol; sodium;

Reference yield:

ethanol (64-17-5) + 10,11,7'-Trimethoxy-emet-15(1')-en-6'-ol → cephaeline (483-17-0)

Guidance literature:

Reference yield:

→ cephaeline (483-17-0)

Guidance literature:

Biosynthese;

upstream raw materials:

ethanol

Downstream raw materials:

emetine

m-hemipinic acid