Dihydroallopseudocodeine
Basic information
- CAS
6688-81-9- Standard SMILES
COc1ccc2c3c1O[C@H]1CC[C@@H](O)[C@H]4[C@@H](C2)N(C)CC[C@@]341- InChIKey
QDERMCWKZCSKSY-JGWAQYATSA-N- Molecular formula
- C18H23NO3
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.1677936
Names & identifiers
- Preferred name
- Dihydroallopseudocodeine
- IUPAC
- (4R,4aR,5R,7aS,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-5-ol
Names & synonyms
DihydroallopseudocodeineAllopseudocodeine, dihydro-Morphinan-8-alpha-ol, 4,5-alpha-epoxy-3-methoxy-17-methyl-6688-81-9
Database identifiers
- CAS
6688-81-9- PubChem CID
- 5492902
- Nikkaji
- J41.761K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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