多枫溴铵
- 中文名称:
- 多枫溴铵
- 中文别名:
- 多枫溴铵
- 英文名称:
- Pyrrolidinium,1-[2-[[2-hydroxy-2-phenyl-2-(2-thienyl)acetyl]methylamino]ethyl]-1-methyl-,bromide (1:1)
- 英文别名:
- 2-hydroxy-N-methyl-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide,bromide;
Dotefonii bromidum [INN-Latin];
Dotefonium Bromide;
1-methyl-1-(2-(n-methyl-a-2-thienylmandelamido)ethyl)pyrrolidinium bromide;
Pyrrolidinium,1-(2-((hydroxyphenyl-2-thienylacetyl)methylamino)ethyl)-1-methyl-,bromide;
Bromure de dotefonium [INN-French];
Bromuro de dotefonio [INN-Spanish];
H 4132
- CAS No.:
- 26058-50-4
- 分 子 式:
-
C20H27N2O2S.Br
- 分 子 量:
- 0
- 精确分子量:
- 438.09800
- PSA:
- 68.78000
- 分子结构式:
-

- SDS:
- 查看
多枫溴铵 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UY4550400
- CHEMICAL NAME :
- Pyrrolidinium,
1-(2-(alpha-hydroxy-N-methyl-alpha-phenyl-2-thiophene
acetamido) ethyl)-1-methyl-, bromide
- CAS REGISTRY NUMBER :
- 26058-50-4
- LAST UPDATED :
- 199603
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C20-H27-N2-O2-S.Br
- MOLECULAR WEIGHT :
- 439.46
- WISWESSER LINE NOTATION :
- T5SJ B1VN1&XQR&1- AT5KTJ A1 &E
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 185 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CHTPBA Chimica Therapeutica. (Paris, France) V.1-8, 1965-73. For
publisher information, see EJMCA5. Volume(issue)/page/year: 7,14,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 30 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CHTPBA Chimica Therapeutica. (Paris, France) V.1-8, 1965-73. For
publisher information, see EJMCA5. Volume(issue)/page/year: 7,14,1972
多枫溴铵 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: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:68.8
7.重原子数量:26
8.表面电荷:0
9.复杂度:461
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:2