Basic information
- CAS
117-74-8- Standard SMILES
COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[OH-]- InChIKey
GMMNRSJSVLUGRV-UHFFFAOYSA-M- Molecular formula
- C20H19NO5
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.12632271
Names & identifiers
- Preferred name
- Benzog-1,3-benzodioxolo5,6-aquinolizinium, 5,6-dihydro-9,10-dimethoxy-, hydroxide
- 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 hydroxide
- English name
- Benzog-1,3-benzodioxolo5,6-aquinolizinium, 5,6-dihydro-9,10-dimethoxy-, hydroxide
- Molecular formula
- C20H19NO5
- Molecular weight
- 353.36856
Names & synonyms
Benzog-1,3-benzodioxolo5,6-aquinolizinium, 5,6-dihydro-9,10-dimethoxy-, hydroxideRefChem:565236Berberine hydroxide117-74-8Daru haldAssam woodDar haldC.I. Natural Yellow 18Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, hydroxideBerbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, hydroxide16,17-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;hydroxideSCHEMBL10709599
Show more names
DTXSID50151657GMMNRSJSVLUGRV-UHFFFAOYSA-M9,10-Dimethoxy-5,6-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium hydroxideBenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-, hydroxide (1:1)
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 488
Physicochemical properties
- Melting point
- 160 · 160-162 °C
- RIDADR
- 1544 · 1544
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Benzog-1,3-benzodioxolo5,6-aquinolizinium, 5,6-dihydro-9,10-dimethoxy-, hydroxide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- ridadr
- 1544
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Suppliers1 total
Creative Enzymes1-516-855-7709 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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