6-Fluoro-6-desoxyoxymorphone
Basic information
- CAS
92593-44-7- Standard SMILES
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](F)CC[C@@]3(O)[C@H]1C5- InChIKey
RHMYCVRHSNQERT-BGMJHJHJSA-N- Molecular formula
- C17H20FNO3
- Average molar mass
- 305.34 g/mol
- Monoisotopic mass
- 305.14272166
Overview
selectively labels mu opiate binding sites in vitro
Names & identifiers
- Preferred name
- 6-Fluoro-6-desoxyoxymorphone
- IUPAC
- (4R,4aS,7R,7aR,12bS)-7-fluoro-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
- English name
- 6-fluoro-6-desoxyoxymorphone
- Molecular formula
- C17H20FNO3
- Molecular weight
- 305.34
Names & synonyms
6-Fluoro-6-desoxyoxymorphone92593-44-7DTXSID60239056Morphinan-3,14-diol, 4,5-epoxy-6-fluoro-17-methyl-, (5alpha,6beta)-RefChem:104636DTXCID80161547FoxySCHEMBL10710988(4R,4aS,7R,7aR,12bS)-7-fluoro-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol6beta-Fluoro-17-methyl-5alpha-4,5-epoxymorphinan-3,14-diolMorphinan-3,14-diol, 4,5-epoxy-6-fluoro-17-methyl-, (5α,6β)- (9CI)
Database identifiers
- CAS
92593-44-7- PubChem CID
- 5486899
- DTXSID
DTXSID60239056
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 504
Physicochemical properties
- Boiling point
- 475.439 · 475.439±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.46 · 1.460±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.252 · 9.252±0.60(predicted)
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Compound notes
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