Basic information
- CAS
981-01-1- Standard SMILES
CCC(=O)O[C@@]12C=CC(=O)[C@@H]3Oc4c(OC)ccc5c4[C@@]31CCN(C)[C@@H]2C5- InChIKey
MIQYLPZRCQLVEI-PSOYPTMXSA-N- Molecular formula
- C21H23NO5
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.15762283
Names & identifiers
- Preferred name
- 14-Hydroxycodeinone propionate
- IUPAC
- [(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] propanoate
Names & synonyms
14-Hydroxycodeinone propionateBRN 4947278Codeinone, 14-hydroxy-, propionate981-01-1DTXSID30243443Morphinan-6-one, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-14-(1-oxopropoxy)-, (5-alpha)-Morphinan-6-one, 7,8-didehydro-4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-, propionate (ester)Morphinan-6-one, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-14-(1-oxopropoxy)-, (5alpha)-RefChem:236569DTXCID30165934MIQYLPZRCQLVEI-PSOYPTMXSA-N3-Methoxy-17-methyl-6-oxo-5alpha-7,8-didehydro-4,5-epoxymorphinan-14-yl propanoate
Database identifiers
- CAS
981-01-1- PubChem CID
- 5486629
- DTXSID
DTXSID30243443
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 707
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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