5-ethyl-1,3-bis(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione

• ChemBase编号: 127314
• 分子式: C16H20N2O5
• 平均质量: 320.3404
• 单一同位素质量: 320.13722175
• SMILES: O=C1N(C(=O)N(C(=O)C1(c1ccccc1)CC)COC)COC
• Canonical SMILES: CCC1(c2ccccc2)C(=O)N(COC)C(=O)N(C1=O)COC
• InChI: InChI=1S/C16H20N2O5/c1-4-16(12-8-6-5-7-9-12)13(19)17(10-22-2)15(21)18(11-23-3)14(16)20/h5-9H,4,10-11H2,1-3H3
• InChIKey: DACOQFZGGLCXMA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-ethyl-1,3-bis(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
• IUPAC传统名: antilon; 5-ethyl-1,3-bis(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
• 别名: Eterobarb; 5-Ethyl-1,3-bis(methoxymethyl)-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione; 1,3-Bis(methoxymethyl)-5-ethyl-5-phenylbarbituric acid; 1,3-Bis(methoxymethyl)phenobarbital; Antilon; Eterobarb; N,N'-Bis(methoxymethyl)phenobarbital; RMI 16238; Eterobarbital; Dimethoxymethylphenobarbital; Eterobarb

登记号

• CAS号: 27511-99-5
• PubChem SID: 162221635
• PubChem CID: 33925
• Chemspider ID: 31271
• KEGG ID: D04077
• 美国药典/FDA物质标识码: 432SI047GA
• 维基百科标题: Eterobarb

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 1.9799331
• LogD (pH = 7.4): 1.9799331
• Log P: 1.9799331
• 摩尔折射率: 81.2457 cm^3
• 极化性: 31.95902 Å^3
• 极化表面积: 76.15 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Crystalline Solid
• 熔点: 116-118°C

药理学性质

• 给药途径: Oral
• 生物活性机理: Produces all levels of CNS mood alteration

产品相关信息

• 应用领域: Anticonvulsant; Sedative

详细说明

Toronto Research Chemicals - E675000

Controlled substance (depressant).An alkoxymethyl derivative of Phenobarbital, reported to have little or no hypnotic activity. Anticonvulsant.

参考文献

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