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环已巴比妥
- 基本信息
- 物化性质
- 安全信息
- 毒理性
- 结构与计算化学
环已巴比妥 基本信息
- 中文名称：
- 环已巴比妥
- 中文别名：
- 环已巴比妥;
伊維潘
- 英文名称：
- HEXOBARBITAL
- 英文别名：
- hexobarbital;
Methexenyl;
Barbidorm;
Methylhexabital;
Evipal;
Enhexymal;
Hexobarbitone;
rac-Hexobarbital;
Hexobarbital;
Citopan;
5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione;
Cyclopan;
5-cyclohexenyl-N-methyl-5-methyl-barbituric acid;
Evipan
- CAS No.：
- 56-29-1
- 分 子 式：
- C12H16N2O3
- 分 子 量：
- 236.27
- 精确分子量：
- 236.11600
- PSA：
- 66.48000
- EINECS：
- 200-264-9
- InChI：
- The Key: UYXAWHWODHRRMR-UHFFFAOYSA-N
- 风险术语：
- 22
- 分子结构式：
-
- SDS：
- 查看
环已巴比妥 物化性质
- 密度：
- 1.225 g/cm3
- 沸点：
- 368.8ºC at 760 mmHg
- 闪点：
- 176.8ºC
环已巴比妥 安全信息
- 包装等级：
- III
- 风险类别：
- 6.1(b)
- 危险类别码：
- R22
- 危险标志：
- Xn: Harmful;
环已巴比妥 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CQ2625000
- CHEMICAL NAME :
- Barbituric acid, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-
- CAS REGISTRY NUMBER :
- 56-29-1
- LAST UPDATED :
- 199409
- DATA ITEMS CITED :
- 16
- MOLECULAR FORMULA :
- C12-H16-N2-O3
- MOLECULAR WEIGHT :
- 236.30
- WISWESSER LINE NOTATION :
- T6VMVNV FHJ D1 F1 F- AL6UTJ
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 :
- 330 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 468 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 270 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 133 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intrapleural
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 340 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Parenteral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 160 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 80 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Rectal
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 175 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Amphibian - frog
- DOSE/DURATION :
- 30 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Parenteral
- SPECIES OBSERVED :
- Amphibian - frog
- DOSE/DURATION :
- 148 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1654 mg/kg/7D-I
- TOXIC EFFECTS :
- Biochemical - Enzyme inhibition, induction, or change in blood or tissue
levels - other hydrolases
MUTATION DATA
- TYPE OF TEST :
- Cytogenetic analysis
- TEST SYSTEM :
- Human Leukocyte
- DOSE/DURATION :
- 1500 mg/L
- REFERENCE :
- TGANAK Tsitologiya i Genetika. Cytology and Genetics. For English
translation, see CYGEDX. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
V.1- 1967- Volume(issue)/page/year: 18(1),13,1984
*** 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
环已巴比妥 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:1
5.互变异构体数量:3
6.拓扑分子极性表面积:66.5
7.重原子数量:17
8.表面电荷:0
9.复杂度:428
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:1
