制备方法

1.有机合成。 镇静剂。

用途简介

用途

1.有机合成。 镇静剂。

包装等级：

III

风险类别：

6.1(b)

危险类别码：

22-43-39/23/24/25-23/24/25-11

危险标志：

Xn,T,F

CHEMICAL IDENTIFICATION

RTECS NUMBER :

CP8750000

CHEMICAL NAME :

Barbituric acid, 5-allyl-5-isobutyl-

CAS REGISTRY NUMBER :

77-26-9

LAST UPDATED :

199707

DATA ITEMS CITED :

8

MOLECULAR FORMULA :

C11-H16-N2-O3

MOLECULAR WEIGHT :

224.29

WISWESSER LINE NOTATION :

T6VMVMV FHJ F2U1 F1Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - woman

DOSE/DURATION :

400 mg/kg

TOXIC EFFECTS :

Vascular - BP lowering not characterized in autonomic section Lungs, Thorax, or Respiration - respiratory depression Gastrointestinal - nausea or vomiting

REFERENCE :

SAVEAB Sammlung von Vergiftungsfaellen. (Berlin, Germany) V.1-13, 1930-44; V.14, 1952-54. For publisher information, see ARTODN. Volume(issue)/page/year: 10,181A,1939

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - child

DOSE/DURATION :

10 mg/kg

TOXIC EFFECTS :

Behavioral - toxic psychosis Behavioral - coma Kidney, Ureter, Bladder - other changes

REFERENCE :

SAVEAB Sammlung von Vergiftungsfaellen. (Berlin, Germany) V.1-13, 1930-44; V.14, 1952-54. For publisher information, see ARTODN. Volume(issue)/page/year: 10,209A,1939

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

160 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 152,341,1930

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Bird - pigeon

DOSE/DURATION :

75 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: 21,315,1972

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Bird - duck

DOSE/DURATION :

237 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: 21,315,1972

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Bird - wild bird species

DOSE/DURATION :

75 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: 21,315,1972 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80374 No. of Facilities: 68 (estimated) No. of Industries: 1 No. of Occupations: 6 No. of Employees: 2770 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80374 No. of Facilities: 43 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 284 (estimated) No. of Female Employees: 144 (estimated)

毒理学数据：

1、急性毒性：妇女经口TDLo：400mg/kg；小孩经口TDLo：10mg/kg；大鼠经皮下LD50：160mg/kg；鸽子经口LD50：75mg/kg；鸭子经口LD50：237mg/kg；野生鸟类经口LD50：75mg/kg；

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

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:2

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:5

6.拓扑分子极性表面积75.3

7.重原子数量:16

8.表面电荷:0

9.复杂度:327

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