HCID11633798

Milategrast mesylate

1-(cyclopropylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;methanesulfonic acid

C25H42N2O3S450.7 g/molCAS 894776-23-9

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IDENTITY

结构与身份

标准SMILES: CC1(C)CC(c2ccccc2N2CCN(CC3CC3)CC2)CC(C)(C)C1.CS(=O)(=O)O
InChIKey: AEHZBEGUMKAEQG-UHFFFAOYSA-N
分子式: C25H42N2O3S
平均分子量: 450.7 g/mol
单同位素质量: 450.29161438

COMPUTED

结构计算性质

已同步

极性表面积: 69.2 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 4
重原子: 31
形式电荷: 0
复杂度: 547

ALIASES

名称与别名

共 8 条

Milategrast mesylate8W7OKS3WDNUNII-8W7OKS3WDN894776-23-9SCHEMBL1449825AEHZBEGUMKAEQG-UHFFFAOYSA-N1-Cyclopropylmethyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine methanesulfonateCyclopropylmethyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine methanesulfonate

REACTIONS

参与反应

4 条

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07425554B2

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uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07910734B2

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uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07910734B2

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uspto-grants-2008_08 · 10.6084/m9.figshare.5104873.v1 · US07410971B2

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