Basic information
- CAS
56051-44-6- Standard SMILES
COc1ccc2c(c1OC)CN(C)c1c-2ccc2cc3c(c(CC(C)=O)c12)OCO3- InChIKey
FQDWTOVIYHNTNX-UHFFFAOYSA-N- Molecular formula
- C24H23NO5
- Average molar mass
- 405.4 g/mol
Names & identifiers
- Preferred name
- 2-Propanone, 1-(12,13-dihydro-1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-11-yl)-
- IUPAC
- 1-(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-11-yl)propan-2-one
- English name
- 1-(12,13-Dihydro-1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-11-yl)-2-propanone
- Molecular formula
- C24H23NO5
- Molecular weight
- 405.44
Names & synonyms
11-AcetonyldihydrochelerythrineFQDWTOVIYHNTNX-UHFFFAOYSA-N2-Propanone, 1-(12,13-dihydro-1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-11-yl)-1-(1,2-Dimethoxy-12-methyl-12,13-dihydro[1,3]benzodioxolo[5,6-c]phenanthridin-11-yl)acetone #1-(12,13-Dihydro-1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-11-yl)-2-propanone
Database identifiers
- CAS
56051-44-6- Nikkaji
- J139.647A
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 643
Physicochemical properties
- Boiling point
- 624.8 · 624.8±55.0 °C(Predicted)
- Density
- 1.279 · 1.279±0.06 g/cm3(Predicted)
- pka
- 1.6 · 1.60±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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