Morphinan-3,8-beta-diol, 6,7-didehydro-4,5-alpha-epoxy-17-methyl-, acetate
Basic information
- CAS
63690-07-3- Standard SMILES
CC(=O)O[C@H]1C=C[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]13- InChIKey
IUGKZJJRTQMXMU-CXUWRLRHSA-N- Molecular formula
- C19H21NO4
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.14705815
Names & identifiers
- Preferred name
- Morphinan-3,8-beta-diol, 6,7-didehydro-4,5-alpha-epoxy-17-methyl-, acetate
- IUPAC
- [(4R,4aR,5S,7aS,12bS)-9-hydroxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-5-yl] acetate
Names & synonyms
Monoacetyl-beta-isomorphinebeta-Isomorphine, acetyl-beta-Isomorphine, monoacetyl-Morphinan-3,8-beta-diol, 6,7-didehydro-4,5-alpha-epoxy-17-methyl-, acetate63690-07-3DTXSID70213089RefChem:357413DTXCID201355803-Hydroxy-17-methyl-5alpha-6,7-didehydro-4,5-epoxymorphinan-8beta-yl acetate
Database identifiers
- CAS
63690-07-3- PubChem CID
- 5745679
- DTXSID
DTXSID70213089
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 592
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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