- 中文别名：阿米美啶
- 中文释义：阿米美啶;异丁烯甲嘧酮
- 英文别名：6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione;
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] - cas No.：550-28-7
- 分子式：
C9H13N3O2
- 分子量：0
- 精确分子量：195.10100
- PSA：70.02000
- InChI：The Key: FXNYSZHYMGWWEZ-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.176g/cm3
- 沸点：
- 292.1ºC at 760 mmHg
- 闪点：
- 130.5ºC
- 折射率：
- 1.537
- 存储条件/存储方法：
- 库房通风低温干燥
安全信息
- 密度：
- 1.176g/cm3
- 沸点：
- 292.1ºC at 760 mmHg
- 闪点：
- 130.5ºC
- 折射率：
- 1.537
- 存储条件/存储方法：
- 库房通风低温干燥
毒理性
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
海关数据
中国海关编码：2933599090
- 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
- 摘要/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%
分子结构与计算化学数据
计算化学数据
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