Canadine methohyroxide
Basic information
- CAS
74742-05-5- Standard SMILES
COc1ccc2c(c1OC)C[N+]1(C)CCc3cc4c(cc3C1C2)OCO4.[OH-]- InChIKey
PXOOFDCQJXMJOX-UHFFFAOYSA-M- Molecular formula
- C21H25NO5
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.1732729
Names & identifiers
- Preferred name
- Canadine methohyroxide
- IUPAC
- 16,17-dimethoxy-13-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene hydroxide
Names & synonyms
74742-05-5Canadine methohyroxideDTXSID909962616H-Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,8,13,13a-tetrahydro-9,10-dimethoxy-7-methyl-, hydroxide, (S)-9,10-Dimethoxy-7-methyl-5,8,13,13a-tetrahydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium hydroxide
Database identifiers
- CAS
74742-05-5- PubChem CID
- 156307
- DTXSID
DTXSID90996261
Properties
Computed structural properties
- Topological polar surface area
- 37.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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