Basic information
- CAS
72498-23-8- Standard SMILES
COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)[N+](C)([O-])CC3- InChIKey
MSASNZOEWLALSO-UEDXYCIISA-N- Molecular formula
- C21H25NO5
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.1732729
Names & identifiers
- Preferred name
- 6a-alpha-Aporphine, 1,2,9,10-tetramethoxy-, 6-oxide
- IUPAC
- (6aS)-1,2,9,10-tetramethoxy-6-methyl-6-oxido-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium
- English name
- (6aS)-5,6,6a,7-Tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinoline 6-oxide
- Molecular weight
- 0
Names & synonyms
1,2,9,10-Tetramethoxy-6a-alpha-aporphine 6-oxide72498-23-86a-alpha-APORPHINE, 1,2,9,10-TETRAMETHOXY-, 6-OXIDERefChem:309447DTXSID60993323(6aS)-1,2,9,10-Tetramethoxy-6-methyl-6-oxo-5,6,6a,7-tetrahydro-4H-6lambda~5~-dibenzo[de,g]quinoline1,2,9,10-Tetramethoxy-6-methyl-6-oxo-5,6,6a,7-tetrahydro-4H-6lambda~5~-dibenzo[de,g]quinoline(6aS)-5,6,6a,7-Tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinoline 6-oxide
Database identifiers
- CAS
72498-23-8- PubChem CID
- 51607
- DTXSID
DTXSID60993323- Nikkaji
- J62.276A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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