Didrate

HCID 3063CAS 125-28-0

基本情報

標準SMILES: COc1ccc2c3c1OC1C(O)CCC4C(C2)N(C)CCC341
InChIKey: RBOXVHNMENFORY-UHFFFAOYSA-N
分子式: C18H23NO3
平均分子量: 301.4 g/mol
単同位体質量: 301.1677936

概要

See also: Aspirin; Caffeine; Dihydrocodeine Bitartrate (annotation moved to); Dihydrocodeine (annotation moved to); Dihydrocodeine Bitartrate (annotation moved to) ... View More ...

名称と識別子

優先名称: Didrate
IUPAC: 9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol

名称と別名

HydrocodinParacodineDidrateCodeine, dihydro-(-)-Dihydrocodeine7,8-Dihydrocodeine6.alpha.-HydrocodolParacodin6-Hydroxy-3-methoxy-N-methyl-4,5-epoxymorphinanDihydrokodeinNadeineNovicodin

名称をさらに表示

Morphinan-6.alpha.-ol, 4,5.alpha.-epoxy-3-methoxy-17-methyl-Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.,6.alpha.)-RapocodinCodeine, dihydro3-methoxy-17-methyl-4,5-epoxymorphinan-6-olNSC 2313196?-Hydrocodol4,5.alpha.-Epoxy-3-methoxy-17-methylmorphinan-6.alpha.-ol

データベース識別子

CAS: 125-28-0
PubChem CID: 3063
DTXSID: DTXSID80859235
ChEMBL: CHEMBL4765015

物性

構造計算による物性

XLogP: 2.2
極性表面積: 41.9 Å²
水素結合供与体数: 1
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: 471

実験および物理化学的性質

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