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

基本情報

標準SMILES: COc1ccc2c3c1OC1C(=O)CCC4C(C2)N(C)CCC314
InChIKey: LLPOLZWFYMWNKH-UHFFFAOYSA-N
分子式: C18H21NO3
平均分子量: 299.4 g/mol
単同位体質量: 299.15214353

概要

4Ah-8,9c-Iminoethanophenanthro(4,5-bcd)furan-5-(6H)-one, 7,7a,8,9-tetrahydro-3-methoxy-12-methyl- is a morphinane alkaloid.

名称と識別子

優先名称: 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

名称と別名

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

名称をさらに表示

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

データベース識別子

CAS: 1082738-67-7
PubChem CID: 411697
DTXSID: DTXSID40859236
ChEBI: CHEBI:181668

物性

構造計算による物性

XLogP: 2.2
極性表面積: 38.8 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 22
形式電荷: 0
複雑度: 509

実験および物理化学的性質

DrugsPharmaceuticals