Basic information
- CAS
38691-93-9- Standard SMILES
COc1ccc2c(OC)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2- InChIKey
MLENXYPZCCNDEL-UHFFFAOYSA-N- Molecular formula
- C21H20NO5+
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.13414774
Names & identifiers
- Preferred name
- Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10,13-trimethoxy-
- IUPAC
- 16,17,21-trimethoxy-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
Names & synonyms
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10,13-trimethoxy-38691-93-913-Methoxyberberine5,6-Dihydro-9,10,13-trimethoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinoliziniumCHEMBL274632SCHEMBL13814556DTXSID001919829,10,13-Trimethoxy-5,6-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium
Database identifiers
- CAS
38691-93-9- PubChem CID
- 148263
- DTXSID
DTXSID00191982- ChEMBL
CHEMBL274632- Nikkaji
- J1.042.564F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 50 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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