HCID178485005

Cimetidine

1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine

C10H16N6S252.34 g/mol

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IDENTITY

结构与身份

标准SMILES: CNC(=NCCSCc1[nH]cnc1C)NC#N
InChIKey: AQIXAKUUQRKLND-UHFFFAOYSA-N
分子式: C10H16N6S
平均分子量: 252.34 g/mol
单同位素质量: 252.11571571

COMPUTED

结构计算性质

等待补全

XLogP: 0.4
极性表面积: 114 Å²
氢键供体: 3
氢键受体: 4
可旋转键: 7
重原子: 17
形式电荷: 0
复杂度: 296

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 416 条

cimetidine51481-61-9AcinilUlcedinEureceptorGastrometTametinUlcimetDyspametUlcomedinaCimalAcibilinCimetagEdaleneUlcedineUlcometTratulSKF-92334CimetidinaCimetum

REACTIONS

参与反应

45 条

uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04221802

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uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04221802

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uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04221802

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uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04221802

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uspto-grants-1978_12 · 10.6084/m9.figshare.5104873.v1 · US04129657

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uspto-grants-1981_03 · 10.6084/m9.figshare.5104873.v1 · US04255425

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04154844

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