2,9,10-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol;iodide

Base Information

• Chemical Name: 2,9,10-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol;iodide
• CAS No.: 1168-00-9
• Molecular Formula: C20H20 N O4 . I
• Molecular Weight: 339.385
• NSC Number: 93137
• Metabolomics Workbench ID: 126003
• ChEMBL ID: CHEMBL1990190
• Mol file: 1168-00-9.mol

Synonyms:1168-00-9;NSC93137;2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol;iodide;Jatrorrhizine, iodide;Berbinium, 7,8,13,13a-tetradehydro-3-hydroxy-2,9,10-trimethoxy-;CHEMBL1990190;NSC-93137;AC-34932;Q-100433

Chemical Property of 2,9,10-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol;iodide

Chemical Property:

• Boiling Point: 644.3°Cat760mmHg
• Flash Point: 343.5°C
• Density: 1.32g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 465.04371
• Heavy Atom Count: 26
• Complexity: 461

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC.[I-]