3-Methoxy-17-methylmorphinan-4,8-diol
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Basic information
- CAS
63701-83-7- Standard SMILES
COc1ccc2c(c1O)[C@@]13CCC[C@@H](O)[C@H]1[C@@H](C2)N(C)CC3- InChIKey
GIIFOXPATIOXSA-FAELENHSSA-N- Molecular formula
- C18H25NO3
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.18344366
Names & identifiers
- Preferred name
- 3-Methoxy-17-methylmorphinan-4,8-diol
- IUPAC
- (1R,9R,10R,11R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-3,11-diol
- English name
- 3-Methoxy-17-methylmorphinan-4,8α-diol
- Molecular formula
- C18H25NO3
- Molecular weight
- 303.4
Names & synonyms
63701-83-7DTXSID509800253-Methoxy-17-methylmorphinan-4,8-diolRefChem:1068112DTXCID7014073053-Methoxy-17-methylmorphinan-4,8alpha-diolAllopseudocodeine, tetrahydro-TetrahydroallopseudocodeineMorphinan-4,8-alpha-diol, 3-methoxy-17-methyl-DB-2943953-Methoxy-17-methylmorphinan-4,8α-diolMorphinan-4,8-diol, 3-methoxy-17-methyl-, (8α)- (9CI)
Database identifiers
- CAS
63701-83-7- PubChem CID
- 5486052
- DTXSID
DTXSID50980025- Nikkaji
- J66.317D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Boiling point
- 481 · 481.0±45.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 10.08 · 10.08±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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