(5alpha,8alpha)-6,7-Didehydro-4,5-epoxy-17-methylmorphinan-3,8-diol
Basic information
- CAS
466-94-4- Standard SMILES
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C=C[C@@H](O)[C@H]3[C@H]1C5- InChIKey
NJMOXXXFTFWKLU-BGXWKIPCSA-N- Molecular formula
- C17H19NO3
- Average molar mass
- 285.34 g/mol
- Monoisotopic mass
- 285.13649347
Names & identifiers
- Preferred name
- (5alpha,8alpha)-6,7-Didehydro-4,5-epoxy-17-methylmorphinan-3,8-diol
- IUPAC
- (4R,4aR,5R,7aS,12bS)-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-5,9-diol
Names & synonyms
beta-Isomorphine466-94-4DTXSID601189885RefChem:1050605DTXCID401621158(5alpha,8alpha)-6,7-Didehydro-4,5-epoxy-17-methylmorphinan-3,8-diol207-379-3EINECS 207-379-3Morphinan-3,8-diol, 6,7-didehydro-4,5-epoxy-17-methyl-, (5-alpha,8-alpha)-NS0012376817-Methyl-5alpha-6,7-didehydro-4,5-epoxymorphinan-3,8alpha-diol(5I+/-,8I+/-)-6,7-Didehydro-4,5-epoxy-17-methylmorphinan-3,8-diol
Database identifiers
- CAS
466-94-4- PubChem CID
- 5486609
- DTXSID
DTXSID601189885- EC Number
- 207-379-3
- Nikkaji
- J12.105C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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