Basic information
- Standard SMILES
CC1C(=NO)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5- InChIKey
JNPWACQLMPDKQF-KETAMBHJSA-N- Molecular formula
- C18H22N2O4
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.15795719
Names & identifiers
- Preferred name
- 6-Methyloximino-17-methyl-4,5alpha-epoxy-3,14-dihydroxymorphinan
- IUPAC
- (4R,4aS,7aS,12bS)-6-hydroxyimino-3,7-dimethyl-2,4,5,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Names & synonyms
JNPWACQLMPDKQF-KETAMBHJSA-N6-Methyloximino-17-methyl-4,5 alpha-epoxy-3, 14-dihydroxymorphinan6-Methyloximino-17-methyl-4,5alpha-epoxy-3,14-dihydroxymorphinan
Database identifiers
- PubChem CID
- 86742291
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 85.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 598
Related reactions
2 records
Compound notes
Loading…