Wallichinine

Base Information

• Chemical Name: Wallichinine
• CAS No.: 125292-97-9
• Molecular Formula: C22H26 O5
• Molecular Weight: 370.43884
• Metabolomics Workbench ID: 143397
• ChEMBL ID: CHEMBL609160
• Mol file: 125292-97-9.mol

Synonyms:wallichinine D

Chemical Property of Wallichinine

Chemical Property:

• Vapor Pressure: 3.54E-11mmHg at 25°C
• Boiling Point: 526.5°C at 760 mmHg
• Flash Point: 228.6°C
• PSA: 53.99000
• Density: 1.12g/cm³
• LogP: 4.10780
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 370.17802393
• Heavy Atom Count: 27
• Complexity: 645

Purity/Quality:

98%Min ^*data from raw suppliers

Wallichinine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC1=CC(=C(C=C1)OC)OC)C2(C=C(C(=O)C=C2OC)CC=C)OC
• Isomeric SMILES: C/C(=C\C1=CC(=C(C=C1)OC)OC)/C2(C=C(C(=O)C=C2OC)CC=C)OC