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-13
- 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
