硫喷妥钠

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • 海关数据
  • 结构与计算化学

硫喷妥钠 基本信息

中文名称:
硫喷妥钠 
中文别名:
硫喷妥钠;
潘托撤戊硫巴比妥钠;
5-乙基-5-(1-甲丁基)-2-硫代巴比土酸钠 
英文名称:
4,6(1H,5H)-Pyrimidinedione,5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-, sodium salt (1:1)
英文别名:
thiopental sodium;
trapanal;
intravalsodium;
5-ethyl-5-(1-methyl-butyl)-6-oxo-2-thioxo-1,2,5,6-tetrahydro-pyrimidin-4-olate sodium salt;
5-ethyl-5-(1-methylbutyl)-2-thiobarbituric acid sodium salt;
leopental;
5-ethyl-5-(1-methylbutyl)-2-thiobarbiturate acid sodium salt;
farmotal;
Thiopentemal;
hypnostan;
(+/-)-THIOPENTAL SODIUM SALT/SODIUM CARBONATE;
thiothalsodium;
rac-thiopentone sodium;
ravonal;
thionembutal;
nesdonal sodium 
CAS No.:
71-73-8
分 子 式:

C11H18N2O2S.Na

分 子 量:
246.32
精确分子量:
264.09100
PSA:
83.83000
InChI:
The Key: AWLILQARPMWUHA-UHFFFAOYSA-L
危险品标志:

T

风险术语:

R25

安全术语:

S36-45

分子结构式:
SDS:
查看

硫喷妥钠 制备方法及用途

制备方法

用乙基丙二酸酯与硫脲缩合,然后酸化得硫喷妥,再与乙醇钠作用制得。

合成制备方法

用乙基丙二酸酯与硫脲缩合,然后酸化得硫喷妥,再与乙醇钠作用制得。

用途简介

静脉注射的全身麻醉药;也可用于抗惊厥。

用途

静脉注射的全身麻醉药;也可用于抗惊厥。

硫喷妥钠 物化性质

存储条件/存储方法:

本品密封于安瓶中阴凉保存。

其它信息:

1.       性状:淡黄色粉末,有吸湿性和不愉快气味

2.       密度(g/mL,25/4):不确定

3.       相对蒸汽密度(g/mL,空气=1):不确定

4.       熔点(ºC):不确定

5.       沸点(ºC,常压):不确定

6.       沸点(ºC, 5.2 kPa):不确定

7.       折射率:不确定

8.       闪点(ºC):不确定

9.       比旋光度(º):不确定

10.    自燃点或引燃温度(ºC):不确定

11.    蒸气压(kPa,25 ºC):不确定

12.    饱和蒸气压(kPa,60 ºC):不确定

13.    燃烧热(KJ/mol):不确定

14.    临界温度(ºC):不确定

15.    临界压力(KPa):不确定

16.    油水(辛醇/水)分配系数的对数值:不确定

17.    爆炸上限(%,V/V):不确定

18.    爆炸下限(%,V/V):不确定

19.    溶解性:溶于水(>10 mg/mL),溶于乙醇

硫喷妥钠 安全信息

包装等级:
III
风险类别:
6.1(b)
海关代码:
2933599090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R25
RTECS号:
CQ6475000
危险标志:
T: Toxic;

硫喷妥钠 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ6475000
CHEMICAL NAME :
Barbituric acid, 5-ethyl-5-(1-methylbutyl)-2-thio-, sodium salt
CAS REGISTRY NUMBER :
71-73-8
LAST UPDATED :
199606
DATA ITEMS CITED :
23
MOLECULAR FORMULA :
C11-H18-N2-O2-S.Na
MOLECULAR WEIGHT :
265.36
WISWESSER LINE NOTATION :
T6VMYMV FHJ CUS FY3&1 F2 &-NA-

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Rectal
SPECIES OBSERVED :
Human
DOSE/DURATION :
45 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - body temperature decrease Behavioral - general anesthetic
REFERENCE :
AACRAT Anesthesia and Analgesia (New York). (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.36- 1957- Volume(issue)/page/year: 46,395,1967
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Rectal
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
107 mg/kg
TOXIC EFFECTS :
Brain and Coverings - changes in circulation (hemorrhage, thrombosis, etc.) Lungs, Thorax, or Respiration - acute pulmonary edema
REFERENCE :
CTOXAO Clinical Toxicology. (New York, NY) V.1-18, 1968-81. For publisher information, see JTCTDW. Volume(issue)/page/year: 2,75,1969
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraarterial
SPECIES OBSERVED :
Human
DOSE/DURATION :
7 mg/kg
TOXIC EFFECTS :
Vascular - acute arterial occlusion Vascular - thrombosis distant from injection site
REFERENCE :
LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 2,571,1943
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
117 mg/kg
TOXIC EFFECTS :
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: 115,432,1955
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
28410 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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: 29,509,1940
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
43600 ug/kg
TOXIC EFFECTS :
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: 116,317,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Rectal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
102 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - body temperature decrease Behavioral - general anesthetic
REFERENCE :
AACRAT Anesthesia and Analgesia (New York). (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.36- 1957- Volume(issue)/page/year: 46,395,1967
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
208 mg/kg
TOXIC EFFECTS :
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: 115,432,1955
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
115 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,457,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
225 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 27,70,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
57 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: 105,221,1956
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
150 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: 60,125,1937
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
36 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CRAAA7 Current Researches in Anesthesia and Analgesia. (Cleveland, OH) V.1-35, 1922-56. For publisher information, see AACRAT. Volume(issue)/page/year: 29,89,1950
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
32500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 82,212,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
35 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,457,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
31 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CRAAA7 Current Researches in Anesthesia and Analgesia. (Cleveland, OH) V.1-35, 1922-56. For publisher information, see AACRAT. Volume(issue)/page/year: 29,89,1950
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
57500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ANESAV Anesthesiology. (Lippincott/Harper, Journal Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740) V.1- 1940- Volume(issue)/page/year: 8,589,1947 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
750 mg/kg/30D-I
TOXIC EFFECTS :
Liver - fatty liver degeneration Related to Chronic Data - death
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: 116,317,1956 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
50 mg/kg
SEX/DURATION :
female 11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
OFAJAE Okajimas Folia Anatomica Japonica. (Keio Univ., School of Medicine, Dept. of Anatomy, 35 Shinano-machi, Shinjuku-ku, Tokyo 160, Japan) V.14- 1936- Volume(issue)/page/year: 43,219,1967
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
75 mg/kg
SEX/DURATION :
female 11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
OFAJAE Okajimas Folia Anatomica Japonica. (Keio Univ., School of Medicine, Dept. of Anatomy, 35 Shinano-machi, Shinjuku-ku, Tokyo 160, Japan) V.14- 1936- Volume(issue)/page/year: 43,219,1967
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
432 mg/kg
SEX/DURATION :
female 3-6 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - other measures of fertility
REFERENCE :
JOENAK Journal of Endocrinology. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1939- Volume(issue)/page/year: 43,225,1969 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1306 No. of Facilities: 158 (estimated) No. of Industries: 1 No. of Occupations: 6 No. of Employees: 2048 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M1306 No. of Facilities: 335 (estimated) No. of Industries: 1 No. of Occupations: 6 No. of Employees: 5619 (estimated) No. of Female Employees: 4042 (estimated)

硫喷妥钠 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%

硫喷妥钠 分子结构与计算化学数据

计算化学数据

1、   氢键供体数量:1

2、   氢键受体数量:3

3、   可旋转化学键数量:4

4、   互变异构体数量:2

5、   拓扑分子极性表面积(TPSA):58.5

6、   重原子数量:17

7、   表面电荷:0

8、   复杂度:346

9、   同位素原子数量:0

10、   确定原子立构中心数量:0

11、   不确定原子立构中心数量:2

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:2

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