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氯苯醇酸铵乙酯盐酸盐 基本信息
- 中文名称：
- 氯苯醇酸铵乙酯盐酸盐
- 中文别名：
- 氯苯醇酸铵乙酯盐酸盐;
ethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium,chloride
- 英文名称：
- Ethanaminium, N-ethyl-2-[(hydroxydiphenylacetyl)oxy]-N,N-dimethyl-, chloride (9CI)
- 英文别名：
- ethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium,chloride;
Lachesine chloride;
Ethyl(2-hydroxyethyl)dimethylammonium benzilate chloride;
Laxesin;
Aethyl-(2-benziloyloxy-aethyl)-dimethyl-ammonium,Chlorid;
E-3;
Lachesin;
Benzilyloxyethyldimethylethylammonium chloride;
2-Benziloyloxyethylethyldimethylammonium chloride;
EINECS 214-610-1;
ethyl-(2-benziloyloxy-ethyl)-dimethyl-ammonium,chloride;
Lachesine
- CAS No.：
- 1164-38-1
- 分 子 式：
- C20H26NO3.Cl
- 分 子 量：
- 363.92
- 精确分子量：
- 363.16000
- PSA：
- 46.53000
- EINECS：
- 214-610-1
- InChI：
- The Key: TVCAZGSWNBZVJN-UHFFFAOYSA-M
- 安全术语：
- Poison by intraperitoneal and subcutaneous routes. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of Cl−, NH3, and NOx.
- 分子结构式：
-
- SDS：
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氯苯醇酸铵乙酯盐酸盐 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- BQ5600000
- CHEMICAL NAME :
- Ammonium, ethyl(2-hydroxyethyl)dimethyl-, chloride,
benzilate
- CAS REGISTRY NUMBER :
- 1164-38-1
- LAST UPDATED :
- 198706
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C20-H26-N-O3.Cl
- MOLECULAR WEIGHT :
- 363.92
- WISWESSER LINE NOTATION :
- QXR&R&VO2K2&1&1 &G
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
- 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: 85,85,1945
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 40 gm/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
- 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: 85,85,1945
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 160 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
- 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: 85,85,1945
氯苯醇酸铵乙酯盐酸盐 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:8
5.互变异构体数量:无
6.拓扑分子极性表面积46.5
7.重原子数量:25
8.表面电荷:0
9.复杂度:378
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:2
