产品供求
奴芬克索
- 基本信息
- 物化性质
- 毒理性
- 结构与计算化学
- 上游产品
奴芬克索 基本信息
- 中文名称：
- 奴芬克索
- 中文别名：
- 奴芬克索
- 英文名称：
- 2-Azabicyclo[2.2.2]octane,2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,3-diphenylpropyl]-
- 英文别名：
- 2-[3-(3-azabicyclo[2.2.2]octan-3-yl)-1,1-diphenylpropyl]-5-methyl-1,3,4-oxadiazole;
octanucline;
2-(3,3-Diphenyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propyl)-2-azabicyclo(2.2.2)octane;
2-Azabicyclo(2.2.2)octane,2-(3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,3-diphenylpropyl);
Nufenoxol [INN-Spanish];
2-[3-(5-methyl-[1,3,4]oxadiazol-2-yl)-3,3-diphenyl-propyl]-2-aza-bicyclo[2.2.2]octane;
Nufenoxole;
Nufenoxolum [INN-Latin]
- CAS No.：
- 57726-65-5
- 分 子 式：
- C25H29N3O
- 分 子 量：
- 387.57
- 精确分子量：
- 387.23100
- PSA：
- 42.16000
- InChI：
- The Key: CVOCKGAVXLCEGM-UHFFFAOYSA-N
- 安全术语：
- Poison by ingestion, intravenous, subcutaneous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
- 分子结构式：
-
- SDS：
- 查看
奴芬克索 物化性质
- 密度：
- 1.135g/cm3
- 沸点：
- 561.1ºC at 760mmHg
- 闪点：
- 293.1ºC
- 折射率：
- 1.582
奴芬克索 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CL5629500
- CHEMICAL NAME :
- 2-Azabicyclo(2.2.2)octane,
2-(3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,3-diphenylprop
yl)-
- CAS REGISTRY NUMBER :
- 57726-65-5
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C25-H29-N3-O
- MOLECULAR WEIGHT :
- 387.57
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 105 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DDREDK Drug Development Research. (Alan R. Liss, Inc., 41 E. 11th St., New
York, NY 10003) V.1- 1981- Volume(issue)/page/year: 1,1,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 21 mg/kg
- TOXIC EFFECTS :
- Behavioral - antipsychotic
Behavioral - analgesia
Gastrointestinal - decreased motility or constipation
- 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: 210,327,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 399 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor
Behavioral - convulsions or effect on seizure threshold
Behavioral - changes in motor activity (specific assay)
- REFERENCE :
- NICHAS Nichidai Igaku Zasshi. Nihon University Medical Journal. (Nihon
Daigaku Igakkai, 30, Oyaguchi kami-machi, Itabashi-ku, Tokyo 173, Japan)
V.1- 1937- Volume(issue)/page/year: 38,1621,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 95 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor
Behavioral - convulsions or effect on seizure threshold
Behavioral - changes in motor activity (specific assay)
- REFERENCE :
- NICHAS Nichidai Igaku Zasshi. Nihon University Medical Journal. (Nihon
Daigaku Igakkai, 30, Oyaguchi kami-machi, Itabashi-ku, Tokyo 173, Japan)
V.1- 1937- Volume(issue)/page/year: 38,1621,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 258 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor
Behavioral - convulsions or effect on seizure threshold
Behavioral - changes in motor activity (specific assay)
- REFERENCE :
- NICHAS Nichidai Igaku Zasshi. Nihon University Medical Journal. (Nihon
Daigaku Igakkai, 30, Oyaguchi kami-machi, Itabashi-ku, Tokyo 173, Japan)
V.1- 1937- Volume(issue)/page/year: 38,1621,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 12 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor
Behavioral - convulsions or effect on seizure threshold
Behavioral - changes in motor activity (specific assay)
- REFERENCE :
- NICHAS Nichidai Igaku Zasshi. Nihon University Medical Journal. (Nihon
Daigaku Igakkai, 30, Oyaguchi kami-machi, Itabashi-ku, Tokyo 173, Japan)
V.1- 1937- Volume(issue)/page/year: 38,1621,1979
奴芬克索 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）:5.3
2.氢键供体数量:0
3.氢键受体数量:4
4.可旋转化学键数量:6
5.互变异构体数量:无
6.拓扑分子极性表面积:42.2
7.重原子数量:29
8.表面电荷:0
9.复杂度:502
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
