Basic information
- CAS
2007-07-0- Standard SMILES
COc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2.[I-]- InChIKey
JOUADZPHULYUAB-UHFFFAOYSA-N- Molecular formula
- C20H20INO4
- Average molar mass
- 465.3 g/mol
- Monoisotopic mass
- 465.04371
Names & identifiers
- Preferred name
- Columbamine iodide
- IUPAC
- 3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol iodide
Names & synonyms
Columbamine iodide2007-07-0Columbamine, iodideCHEMBL4533643,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol;iodideBerbinium, 7,8,13,13a-tetradehydro-2-hydroxy-3,9,10-trimethoxy-, iodideDibenzo(a,g)quinolizinium, 5,6-dihydro-2-hydroxy-3,9,10-trimethoxy-, iodide
Database identifiers
- CAS
2007-07-0- PubChem CID
- 72309
- ChEMBL
CHEMBL453364
Properties
Computed structural properties
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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