9-Methoxy-3-methyl-2,3,4,4a,5,6-hexahydro-1H-4,12-methano(1)benzofuro(3,2-e)isoquinolin-7(7aH)-one

HCID 411697CAS 1082738-67-7

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

Experimental & physicochemical properties

DrugsPharmaceuticals

Related reactions

2 records

Linked notes

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