Basic information
- Standard SMILES
COc1ccc2c3c1OC1C(=O)CCC4C(C2)N(C)CCC314- InChIKey
LLPOLZWFYMWNKH-UHFFFAOYSA-N- Molecular formula
- C18H21NO3
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.15214353
Overview
4Ah-8,9c-Iminoethanophenanthro(4,5-bcd)furan-5-(6H)-one, 7,7a,8,9-tetrahydro-3-methoxy-12-methyl- is a morphinane alkaloid.
Names & identifiers
- Preferred name
- 9-Methoxy-3-methyl-2,3,4,4a,5,6-hexahydro-1H-4,12-methano(1)benzofuro(3,2-e)isoquinolin-7(7aH)-one
- IUPAC
- 9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Names & synonyms
DTXSID408592361082738-67-79-Methoxy-3-methyl-2,3,4,4a,5,6-hexahydro-1H-4,12-methano(1)benzofuro(3,2-e)isoquinolin-7(7aH)-one9-Methoxy-3-methyl-2,3,4,4a,5,6-hexahydro-1H-4,12-methano[1]benzofuro[3,2-e]isoquinolin-7(7aH)-oneRefChem:1075006DTXCID301972304aH-8,9c-Iminoethanophenanthro(4,5-bcd)furan-5-(6H)-one, 7,7a,8,9-tetrahydro-3-methoxy-12-methyl-DicodidMorphinan-6-one, 4,5.alpha.-epoxy-3-methoxy-17-methyl-Morphinan-6-one, 4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.)-NSC 19044(+)-dihydroco-deinone
Show more names
4,5.alpha.-Epoxy-3-methoxy-17-methylmorphinan-6-one6-Oxo-7,8-dihydrocodeineSCHEMBL9890036CHEBI:181668LLPOLZWFYMWNKH-UHFFFAOYSA-N3-Methoxy-17-methyl-4,5-epoxymorphinan-6-oneL0010249-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Database identifiers
- CAS
1082738-67-7- PubChem CID
- 411697
- DTXSID
DTXSID40859236- ChEBI
CHEBI:181668
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 509
Experimental & physicochemical properties
DrugsPharmaceuticals
Related reactions
2 records
Linked notes
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