Morphine 3-nicotinate
Basic information
- CAS
83465-15-0- Standard SMILES
CN1CC[C@]23c4c5ccc(OC(=O)c6cccnc6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@@H]1C5- InChIKey
RPXDXNICIYHIEN-KHNXIZHXSA-N- Molecular formula
- C23H22N2O4
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 390.15795719
Overview
metabolite of nicomorphine; RN given refers to (5alpha,6alpha)isomer
Names & identifiers
- Preferred name
- Morphine 3-nicotinate
- IUPAC
- [(4S,4aR,7S,7aR,12bS)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] pyridine-3-carboxylate
Names & synonyms
Morphine 3-nicotinateDTXSID902323583-Nicotinoylmorphine3-Mononicotinoylmorphine83465-15-0RefChem:926141DTXCID901548496alpha-Hydroxy-17-methyl-5alpha,9alpha-7,8-didehydro-4,5-epoxymorphinan-3-yl pyridine-3-carboxylate
Database identifiers
- CAS
83465-15-0- PubChem CID
- 5488739
- DTXSID
DTXSID90232358
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 713
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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