烯丙基丙二酰脲
- 中文名称：
- 烯丙基丙二酰脲
- 中文别名：
- 阿洛巴比妥;
待安;
5,5-二烯丙巴比妥酸
- 英文名称：
- 2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-di-2-propen-1-yl-
- 英文别名：
- 5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione;
Allylbarbitural;
ALLOBARBITAL;
Dormallyl;
Diallylbarbituric acid;
Allobarbitone;
Diallylbarbital;
Barballyl;
Barbidal;
5,5-Diallylbarbituric acid;
Diallymal
- CAS No.：
- 52-43-7
- 分 子 式：
-
C10H12N2O3
- 分 子 量：
- 208.22
- 精确分子量：
- 208.08500
- PSA：
- 75.27000
- EINECS：
- 200-140-4
- InChI：
- The Key: FDQGNLOWMMVRQL-UHFFFAOYSA-N3
- 危险品标志：
-
T
- 风险术语：
-
R25
- 安全术语：
-
S45
- 分子结构式：
-
- SDS：
- 查看
烯丙基丙二酰脲 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CQ3325000
- CHEMICAL NAME :
- Barbituric acid, 5,5-diallyl-
- CAS REGISTRY NUMBER :
- 52-43-7
- LAST UPDATED :
- 199707
- DATA ITEMS CITED :
- 11
- MOLECULAR FORMULA :
- C10-H12-N2-O3
- MOLECULAR WEIGHT :
- 208.24
- WISWESSER LINE NOTATION :
- T6VMVMV FHJ F2U1 F2U1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 121 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18,
Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year:
8,913,1953
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 110 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 :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 85 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AITDAQ Archiwum Immunologii i Terapii Doswiadczalnej. (Warsaw, Poland)
V.1-9, 1953-61. For publisher information, see AITEAT.
Volume(issue)/page/year: 7,95,1959
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - excitement
- REFERENCE :
- HDTU** "Pharmakologische Prufung von Analgetika, Dissertation," Herrlen, G.,
Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1933
Volume(issue)/page/year: -,-,1933
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 218 mg/kg
- TOXIC EFFECTS :
- Behavioral - ataxia
Lungs, Thorax, or Respiration - respiratory depression
Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 16,2161,1982
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 50 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig,
Ger. Dem. Rep.) Volume(issue)/page/year: 4,1289,1935
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Behavioral - general anesthetic
- 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:
25,597,1936
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 147 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 13,791,1979
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1400 mg/kg/35D-C
- TOXIC EFFECTS :
- Liver - other changes
Kidney, Ureter, Bladder - other changes
Blood - normocytic anemia
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 16,2161,1982
*** REVIEWS ***
TOXICOLOGY REVIEW
PHREA7 Physiological Reviews. (American Physiological Soc., 9650 Rockville
Pike, Bethesda, MD 20814) V.1- 1921- Volume(issue)/page/year:
19,472,1939
*** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***
NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA :
NOHS - National Occupational Hazard Survey (1974)
NOHS Hazard Code - 80391
No. of Facilities: 68 (estimated)
No. of Industries: 1
No. of Occupations: 6
No. of Employees: 2770 (estimated)
烯丙基丙二酰脲 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: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:15
8.表面电荷:0
9.复杂度:315
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
T