Basic information
- CAS
3883-12-3- Standard SMILES
COc1ccc2c3c1O[C@H]1CC[C@H](O)[C@H]4[C@@H](C2)N(C)CC[C@@]341- InChIKey
QDERMCWKZCSKSY-CVXFFHBFSA-N- Molecular formula
- C18H23NO3
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.1677936
Names & identifiers
- Preferred name
- Dihydropseudocodeine
- IUPAC
- (4R,4aR,5S,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
- English name
- 4,5α-Epoxy-3-methoxy-17-methylmorphinan-8β-ol
- Molecular formula
- C18H23NO3
- Molecular weight
- 301.38
Names & synonyms
Dihydropseudocodeine3883-12-3RefChem:1083619Pseudocodeine, dihydro-DTXSID60959621Morphinan-8-beta-ol, 4,5-alpha-epoxy-3-methoxy-17-methyl-3-Methoxy-17-methyl-4,5-epoxymorphinan-8-ol3-Methoxy-17-methyl-5alpha-4,5-epoxymorphinan-8beta-ol4,5α-Epoxy-3-methoxy-17-methylmorphinan-8β-ol
Database identifiers
- CAS
3883-12-3- PubChem CID
- 5492802
- DTXSID
DTXSID60959621- Nikkaji
- J72.595A
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
Physicochemical properties
- Melting point
- 148 · 148-151 °C
- Boiling point
- 472.322 · 472.322±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.314 · 1.314±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.458 · 14.458±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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