Vernodalol

Base Information

• Chemical Name: Vernodalol
• CAS No.: 65388-17-2
• Molecular Formula: C20H24O8
• Molecular Weight: 392.3998
• DSSTox Substance ID: DTXSID10331796
• Nikkaji Number: J20.180D
• Wikidata: Q27108534
• Metabolomics Workbench ID: 69248
• ChEMBL ID: CHEMBL1172876
• Mol file: 65388-17-2.mol

Synonyms:vernodalol

Chemical Property of Vernodalol

Chemical Property:

• Vapor Pressure: 5.71E-15mmHg at 25°C
• Boiling Point: 562°Cat760mmHg
• Flash Point: 194.9°C
• PSA: 119.36000
• Density: 1.27g/cm³
• LogP: 0.45830
• Storage Temp.: ?20°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 392.14711772
• Heavy Atom Count: 28
• Complexity: 751

Purity/Quality:

99% ^*data from raw suppliers

Vernodalol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=C)C1C(CC2(COC(=O)C(=C)C2C1O)C=C)OC(=O)C(=C)CO
• Isomeric SMILES: COC(=O)C(=C)[C@@H]1[C@H](C[C@@]2(COC(=O)C(=C)[C@@H]2[C@H]1O)C=C)OC(=O)C(=C)CO
• Uses: Vernodalol is an anti-trypanosomatid and is shown to enhance TRAIL-induced apoptosis in large B-cell lymphoma cells.