阿米妥钠; 5-乙基-5-异戊基巴比妥酸钠; 5-乙基-5-异戊基-2,4,6(1H,3H,5H)-嘧啶三酮一钠盐

基本信息
物化性质
安全信息
毒理性
结构与计算化学

阿米妥钠; 5-乙基-5-异戊基巴比妥酸钠; 5-乙基-5-异戊基-2,4,6(1H,3H,5H)-嘧啶三酮一钠盐基本信息

中文名称：: 阿米妥钠; 5-乙基-5-异戊基巴比妥酸钠; 5-乙基-5-异戊基-2,4,6(1H,3H,5H)-嘧啶三酮一钠盐

中文别名：: 阿米妥钠;
5-乙基-5-异戊基-2,4,6(1H,3H,5H)-嘧啶三酮一钠盐;
5-乙基-5-异戊基巴比妥酸钠;
异戊巴比妥钠盐

英文名称：: 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-(3-methylbutyl)-, sodium salt (1:1)

英文别名：: sodium,5-ethyl-5-(3-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate;
Barbamylum;
amobarbital;
sodium amobarbital;
Dorminal;
Alitinal;
Inmetal;
Amytal elixier;
amylobarbitone sodium;
Drinamyl;
AMOBARBITAL SODIUM;
Amytal sodium;
Dusotal;
Amsebarb

CAS No.：: 64-43-7

分子式：: C₁₁H₁₈N₂O₃.Na

分子量：: 248.25

精确分子量：: 248.11400

PSA：: 81.59000

EINECS：: 200-584-9

InChI：: InChI=1/C11H18N2O3.Na/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1

危险品标志：

风险术语：

安全术语：

分子结构式：

SDS：: 查看

阿米妥钠; 5-乙基-5-异戊基巴比妥酸钠; 5-乙基-5-异戊基-2,4,6(1H,3H,5H)-嘧啶三酮一钠盐物化性质

外观与性状：: 白色粉末。极易溶于水，能溶于乙醇，几乎不溶于乙醚或氯仿。
存储条件/存储方法：: 2-8°C

阿米妥钠; 5-乙基-5-异戊基巴比妥酸钠; 5-乙基-5-异戊基-2,4,6(1H,3H,5H)-嘧啶三酮一钠盐安全信息

包装等级：: III
风险类别：: 6.1(b)
WGK_Germany：: 3
德国有关水污染物质的分类清单
危险类别码：: R22:Harmful if swallowed.
安全说明：: S36
RTECS号：: CQ5250000
危险标志：: Xn

阿米妥钠; 5-乙基-5-异戊基巴比妥酸钠; 5-乙基-5-异戊基-2,4,6(1H,3H,5H)-嘧啶三酮一钠盐毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CQ5250000

CHEMICAL NAME :: Barbituric acid, 5-ethyl-5-isopentyl-, sodium salt

CAS REGISTRY NUMBER :: 64-43-7

LAST UPDATED :: 199604

DATA ITEMS CITED :: 24

MOLECULAR FORMULA :: C11-H18-N2-O3.Na

MOLECULAR WEIGHT :: 249.30

WISWESSER LINE NOTATION :: T6VMVMV FHJ FY1&1 F2 &-NA-

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 :: 275 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 68,22,1940

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 120 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 55,2979,1933

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 90 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 31,1,1927

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 128 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - tremor

REFERENCE :: JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 44,152,1955

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 505 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 14,845,1959

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 87,265,1946

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 38,152,1975

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPHAA3 Journal of the American Pharmaceutical Association. (Washington, DC) V.1-28, 1912-39; New series: V.1-17, 1961-77. Volume(issue)/page/year: 26,1248,1937

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 99 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 68,22,1940

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 75 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - tremor

REFERENCE :: JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 44,152,1955

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Rectal

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPHAA3 Journal of the American Pharmaceutical Association. (Washington, DC) V.1-28, 1912-39; New series: V.1-17, 1961-77. Volume(issue)/page/year: 26,1248,1937

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 90 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 46,387,1932

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 60 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Behavioral - general anesthetic

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 39,177,1930

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 575 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 42,253,1931

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 90 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 42,253,1931

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 110 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 31,1,1927

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 70 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - tremor

REFERENCE :: JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 44,152,1955

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 120 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPHAA3 Journal of the American Pharmaceutical Association. (Washington, DC) V.1-28, 1912-39; New series: V.1-17, 1961-77. Volume(issue)/page/year: 26,1248,1937

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 170 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPHAA3 Journal of the American Pharmaceutical Association. (Washington, DC) V.1-28, 1912-39; New series: V.1-17, 1961-77. Volume(issue)/page/year: 26,1248,1937

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 90 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPHAA3 Journal of the American Pharmaceutical Association. (Washington, DC) V.1-28, 1912-39; New series: V.1-17, 1961-77. Volume(issue)/page/year: 26,1248,1937

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 110 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPHAA3 Journal of the American Pharmaceutical Association. (Washington, DC) V.1-28, 1912-39; New series: V.1-17, 1961-77. Volume(issue)/page/year: 26,1248,1937 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 0.1 mg/m3 (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,208,1971 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80515 No. of Facilities: 101 (estimated) No. of Industries: 2 No. of Occupations: 7 No. of Employees: 3694 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80515 No. of Facilities: 46 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 620 (estimated) No. of Female Employees: 417 (estimated)

阿米妥钠; 5-乙基-5-异戊基巴比妥酸钠; 5-乙基-5-异戊基-2,4,6(1H,3H,5H)-嘧啶三酮一钠盐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）:无

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:4

5.互变异构体数量:2

6.拓扑分子极性表面积81.6

7.重原子数量:17

8.表面电荷:0

9.复杂度:342

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:1

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:2

阿米妥钠; 5-乙基-5-异戊基巴比妥酸钠; 5-乙基-5-异戊基-2,4,6(1H,3H,5H)-嘧啶三酮一钠盐

阿米妥钠; 5-乙基-5-异戊基巴比妥酸钠; 5-乙基-5-异戊基-2,4,6(1H,3H,5H)-嘧啶三酮一钠盐 基本信息

阿米妥钠; 5-乙基-5-异戊基巴比妥酸钠; 5-乙基-5-异戊基-2,4,6(1H,3H,5H)-嘧啶三酮一钠盐 物化性质

阿米妥钠; 5-乙基-5-异戊基巴比妥酸钠; 5-乙基-5-异戊基-2,4,6(1H,3H,5H)-嘧啶三酮一钠盐 安全信息

阿米妥钠; 5-乙基-5-异戊基巴比妥酸钠; 5-乙基-5-异戊基-2,4,6(1H,3H,5H)-嘧啶三酮一钠盐 毒理性

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

阿米妥钠; 5-乙基-5-异戊基巴比妥酸钠; 5-乙基-5-异戊基-2,4,6(1H,3H,5H)-嘧啶三酮一钠盐 分子结构与计算化学数据

计算化学数据

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阿米妥钠; 5-乙基-5-异戊基巴比妥酸钠; 5-乙基-5-异戊基-2,4,6(1H,3H,5H)-嘧啶三酮一钠盐基本信息

阿米妥钠; 5-乙基-5-异戊基巴比妥酸钠; 5-乙基-5-异戊基-2,4,6(1H,3H,5H)-嘧啶三酮一钠盐物化性质

阿米妥钠; 5-乙基-5-异戊基巴比妥酸钠; 5-乙基-5-异戊基-2,4,6(1H,3H,5H)-嘧啶三酮一钠盐安全信息

阿米妥钠; 5-乙基-5-异戊基巴比妥酸钠; 5-乙基-5-异戊基-2,4,6(1H,3H,5H)-嘧啶三酮一钠盐毒理性

阿米妥钠; 5-乙基-5-异戊基巴比妥酸钠; 5-乙基-5-异戊基-2,4,6(1H,3H,5H)-嘧啶三酮一钠盐分子结构与计算化学数据