550-28-7

• 常用中文名：阿米美啶
• 常用英文名：Amisometradine
• CAS号：550-28-7
• 分子式：C₉H₁₃N₃O₂
• 分子量：195.21800
• 发布时间：2018-04-11 08:00:00
• 更新时间：2024-01-05 21:30:28
• Amisometradine is a diuretic which may be used in the treatment of congestive heart failure.

名称

• 中文名: 阿米美啶
• 英文名: 6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
• 英文别名: Aminoisometradin; 6-Amino-1-metallyl-3-methylpyrimidine-2,4-dione; AMISOMETRADINE; Aminoisometradine; Amisometradin; Rolicton; 6-Amino-1-methallyl-3-methyl-1H-pyrimidin-2,4-dion; Amisometradinum [INN-Latin]; 6-Amino-3-methyl-1-(2-methylallyl)uracil; Uracil,6-amino-3-methyl-1-(2-methylallyl); 6-amino-1-methallyl-3-methyl-1H-pyrimidine-2,4-dione; 6-amino-3-methyl-1-(2-methyl-allyl)-1H-pyrimidine-2,4-dione; Amisometradina [INN-Spanish]

物化性质

• 密度: 1.176g/cm3
• 沸点: 292.1ºC at 760 mmHg
• 分子式: C₉H₁₃N₃O₂
• 分子量: 195.21800
• 闪点: 130.5ºC
• 精确质量: 195.10100
• PSA: 70.02000
• LogP: 0.28650
• 折射率: 1.537
• 储存条件: 库房通风低温干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.2

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:2

  5.互变异构体数量:3

  6.拓扑分子极性表面积:66.6

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:333

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : YQ8800000 CHEMICAL NAME : Uracil, 6-amino-3-methyl-1-(2-methylallyl)- CAS REGISTRY NUMBER : 550-28-7 BEILSTEIN REFERENCE NO. : 0182347 LAST UPDATED : 199612 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C9-H13-N3-O2 MOLECULAR WEIGHT : 195.25 WISWESSER LINE NOTATION : T6NVNVJ A1Y1&U1 C1 FZ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1560 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 126,400,1960 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 515 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 126,400,1960 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 610 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year: 11,79,1989 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 415 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year: 11,79,1989

安全

• 海关编码: 2933599090

合成路线

89487-41-2 ~% 550-28-7

文献：Papesch; Schroeder Journal of Organic Chemistry, 1951 , vol. 16, p. 1879,1881,1887

874517-48-3 ~% 550-28-7

文献：Papesch; Schroeder Journal of Organic Chemistry, 1951 , vol. 16, p. 1879,1881,1887

366445-27-4 77-78-1 ~% 550-28-7

文献：Papesch; Schroeder Journal of Organic Chemistry, 1951 , vol. 16, p. 1879,1881,1887

上下游产品

上游产品  2
874517-48-3 77-78-1
下游产品  0

海关

海关编码	2933599090
中文概述	2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%