[3-(chloromercurio)-2-methoxypropyl]urea

• ChemBase编号: 416
• 分子式: C5H11ClHgN2O2
• 平均质量: 367.19604
• 单一同位素质量: 368.02154828
• SMILES: [Hg](Cl)CC(OC)CNC(=O)N
• Canonical SMILES: COC(C[Hg]Cl)CNC(=O)N
• InChI: InChI=1S/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1
• InChIKey: BJFGVYCULWBXKF-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: [3-(chloromercurio)-2-methoxypropyl]urea
• IUPAC传统名: chlormerodrine
• 商标名: Chlormerodrine; Chlormeroprin; Chloromeridin; Chloromerodrin; Diurone; Hg-203 chlormerodrin; Katonil; Mercardox; Mercloran; Mercoral; Merculest; Merilid; Neogidrin; Neohydrin; Oricur; Percapyl; Promeran; Promerane
• 别名: Chlormerodrin

登记号

• CAS号: 62-37-3
• PubChem SID: 160963879; 46504793
• PubChem CID: 25210

理论计算性质

JChem

• Acid pKa: 14.047457
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -0.85840005
• LogD (pH = 7.4): -0.8584001
• Log P: -0.8584
• 摩尔折射率: 38.783 cm^3
• 极化性: 22.562609 Å^3
• 极化表面积: 64.35 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: -0.5
• LOG S: -1.1
• 溶解度: 2.92e+01 g/l

分子性质

理化性质

• 溶解度: 1.1E+004 mg/L
• 疏水性(logP): -0.80

详细说明

DrugBank - DB00534

• Drug Groups: approved
• Description: Chlormerodrin is a mercurial compound with toxic side effects that was previously used as a diuretic. The radiolabeled form has been used as a diagnostic and research tool. It is no longer used and has been replaced with new classes of diuretic drugs.
• Indication: Previously used as a diuretic. The radiolabeled form has been used as a diagnostic and research tool.
• Pharmacology: Chlormerodrin is a mercurial compound with toxic side effects. It is no longer used and has been replaced with new classes of diuretic drugs.
• Toxicity: As chlormerodrin has been shown to increase the levels of mercury in the kidney to toxic levels, any symptoms of overdose will most likely correspond to symptoms experienced in exposure to mercury.
• Affected Organisms: Humans and other mammals