Berberine iodide
Basic information
- CAS
4263-84-7- Standard SMILES
COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[I-]- InChIKey
COKBTDHQMKTDCJ-UHFFFAOYSA-M- Molecular formula
- C20H18INO4
- Average molar mass
- 463.3 g/mol
- Monoisotopic mass
- 463.02806
Names & identifiers
- Preferred name
- Berberine iodide
- IUPAC
- 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene iodide
Names & synonyms
Berberine iodideBerberine, iodide4263-84-7NSC 150446Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, iodideRefChem:119042SCHEMBL1376273CHEMBL1985435DTXSID80962617NSC150446AKOS000277098NSC-150446
Show more names
9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium; iodide9,10-Dimethoxy-5,6-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium iodide
Database identifiers
- CAS
4263-84-7- PubChem CID
- 72350
- DTXSID
DTXSID80962617- ChEMBL
CHEMBL1985435
Properties
Computed structural properties
- Topological polar surface area
- 40.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 488
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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