4a-Hydroxy-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 4635CAS 850-50-0

基本情報

標準SMILES: COc1ccc2c3c1OC1C(=O)CCC4(O)C(C2)N(C)CCC314
InChIKey: BRUQQQPBMZOVGD-UHFFFAOYSA-N
分子式: C18H21NO4
平均分子量: 315.4 g/mol
単同位体質量: 315.14705815

概要

See also: Oxycodone (annotation moved to); Percocet (annotation moved to); Oxycodone Hydrochloride (annotation moved to) ... View More ...

名称と識別子

優先名称: 4a-Hydroxy-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: 4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

名称と別名

DTXSID40859094850-50-04a-Hydroxy-9-methoxy-3-methyl-2,3,4,4a,5,6-hexahydro-1H-4,12-methano(1)benzofuro(3,2-e)isoquinolin-7(7aH)-one4a-Hydroxy-9-methoxy-3-methyl-2,3,4,4a,5,6-hexahydro-1H-4,12-methano[1]benzofuro[3,2-e]isoquinolin-7(7aH)-oneRefChem:1071740DTXCID40204323OxiconeMorphinan-6-one, 4,5.alpha.-epoxy-14-hydroxy-3-methoxy-17-methyl-Tekodin (free base)4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-oneNSC 19043Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5.alpha.)-

名称をさらに表示

Eucodal (Salt/Mix)Tecodin (Salt/Mix)Dinarkon (Salt/Mix)col-0034,5.alpha.-Epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-oneSCHEMBL10064505BRUQQQPBMZOVGD-UHFFFAOYSA-NCGA47791

データベース識別子

CAS: 850-50-0
PubChem CID: 4635
DTXSID: DTXSID40859094
Nikkaji: J23.936D

物性

構造計算による物性

XLogP: 1.2
極性表面積: 59 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 23
形式電荷: 0
複雑度: 553

実験および物理化学的性質

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