HCID65839

Elziverine

1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]isoquinoline

C32H37N3O5543.7 g/molCAS 95520-81-3

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IDENTITY

结构与身份

标准SMILES: COc1ccc(Cc2ncc(CN3CCN(c4ccccc4OC)CC3)c3cc(OC)c(OC)cc23)cc1OC
InChIKey: PWZXTLHDGIBNLG-UHFFFAOYSA-N
分子式: C32H37N3O5
平均分子量: 543.7 g/mol
单同位素质量: 543.27332129

COMPUTED

结构计算性质

已同步

XLogP: 5.3
极性表面积: 65.5 Å²
氢键供体: 0
氢键受体: 8
可旋转键: 10
重原子: 40
形式电荷: 0
复杂度: 752

ALIASES

名称与别名

共 33 条

Elziverine95520-81-3ElziverinaElziverine [INN]ElziverinumElziverinum [Latin]Elziverina [Spanish]UNII-1I2BO467451I2BO46745DTXSID70241867Elziverinum (Latin)6,7-Dimethoxy-4-((4-(o-methoxyphenyl)-1-piperazinyl)methyl)-1-veratrylisoquinoline6,7-dimethoxy-1-(3,4-dimethoxybenzyl)-4-((4-(2-methoxyphenyl)-1-piperazinyl)methyl)isoquinolineIsoquinoline, 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-((4-(2-methoxyphenyl)-1-piperazinyl)methyl)-RefChem:136568DTXCID00164358Ro 22-48391-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]isoquinoline1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}isoquinoline6,7-dimethoxy-1-{(3,4-dimethoxyphenyl)methyl}-4-([4-(2-methoxyphenyl)-1-piperazinyl]methyl)isoquinoline

REACTIONS

参与反应

3 条

uspto-grants-1985_10 · 10.6084/m9.figshare.5104873.v1 · US04544657

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uspto-grants-1985_12 · 10.6084/m9.figshare.5104873.v1 · US04559403

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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