HCID86602117

4-{[4-(aminomethyl)piperidin-1-yl]methyl}tetrahydro-2H-pyran-4-carboxylic acid 4-methylbenzenesulfonate

4-[[4-(aminomethyl)piperidin-1-yl]methyl]oxane-4-carboxylic acid;4-methylbenzenesulfonic acid

C20H32N2O6S428.5 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(S(=O)(=O)O)cc1.NCC1CCN(CC2(C(=O)O)CCOCC2)CC1
InChIKey: DDPOBNLIHHDQBD-UHFFFAOYSA-N
分子式: C20H32N2O6S
平均分子量: 428.5 g/mol
单同位素质量: 428.19810792

COMPUTED

结构计算性质

已同步

极性表面积: 139 Å²
氢键供体: 3
氢键受体: 8
可旋转键: 5
重原子: 29
形式电荷: 0
复杂度: 488

ALIASES

名称与别名

共 4 条

SCHEMBL1971158DDPOBNLIHHDQBD-UHFFFAOYSA-N4-{[4-(aminomethyl)piperidin-1-yl]methyl}tetrahydro-2H-pyran-4-carboxylic acid 4-methylbenze nesulfonate4-{[4-(aminomethyl)piperidin-1-yl]methyl}tetrahydro-2H-pyran-4-carboxylic acid 4-methylbenzenesulfonate

REACTIONS

相关反应

7 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07737163B2

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uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07737163B2

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uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07705020B2

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uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07705020B2

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uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07589109B2

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uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07595329B2

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uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07595329B2

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