4,6(1H,5H)-Pyrimidinedione,5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-, sodium salt (1:1)

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(>10mg/mL)，溶于乙醇

安全信息

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(>10mg/mL)，溶于乙醇

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)

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、 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