1-Piperidinebutanamide,4-(4-chlorophenyl)-4-hydroxy-N,N-dimethyl-a,a-diphenyl-, 1-oxide, trans-
- 中文别名：氧洛哌丁胺
- 中文释义：氧洛哌丁胺
- 英文别名：4-[4-(4-chlorophenyl)-4-hydroxy-1-oxidopiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;
Loperamide N-oxide;
Loperamide oxide;
trans-N-Oxide of loperamide;
Arestal
- CAS No.：106900-12-3
- 分子式：
C29H33ClN2O3
- 分子量：0
- 精确分子量：492.21800
- PSA：69.97000
- 分子结构式：
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TM4960200
- CHEMICAL NAME :
- 1-Piperidinebutanamide, 4-(4-chlorophenyl)-4-hydroxy-N,N-dimethyl-alpha,alpha -diphenyl-, 1-oxide, (E)-
- CAS REGISTRY NUMBER :
- 106900-12-3
- LAST UPDATED :
- 198910
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C29-H33-Cl-N2-O3
- MOLECULAR WEIGHT :
- 493.09
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 :
- 172 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: 8,279,1986
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 28300 ug/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: 8,279,1986
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）:4.5
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:7
5.互变异构体数量:无
6.拓扑分子极性表面积:58.6
7.重原子数量:35
8.表面电荷:0
9.复杂度:668
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
