7-O-Demethylisothalicberine

Base Information

• Chemical Name: 7-O-Demethylisothalicberine
• CAS No.: 73711-14-5
• Molecular Formula: C₃₆H₃₈N₂O₆
• Molecular Weight: 594.708
• DSSTox Substance ID: DTXSID50224012
• Nikkaji Number: J2.402.158K
• Wikidata: Q83102522
• Mol file: 73711-14-5.mol

Synonyms:7-O-demethyliso-thalicberine;7-O-demethylisothalicberine

Chemical Property of 7-O-Demethylisothalicberine

Chemical Property:

• Vapor Pressure: 1.27E-20mmHg at 25°C
• Boiling Point: 706.5°C at 760 mmHg
• Flash Point: 381.1°C
• PSA: 83.86000
• Density: 1.239g/cm³
• LogP: 6.43220
• XLogP3: 6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 594.27298694
• Heavy Atom Count: 44
• Complexity: 948

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC3=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC
• Isomeric SMILES: CN1CCC2=CC3=C(C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC