10H-Phenothiazine-10-carboxylicacid, 2-[2-(dimethylamino)ethoxy]ethyl ester, hydrochloride (1:1)
- 中文别名:地美索酯盐酸盐; 2-(2-二甲基氨基乙氧基)乙基吩噻嗪-10-甲酸酯盐酸盐
- 中文释义:地美索酯盐酸盐;2-(2-二甲基氨基乙氧基)乙基吩噻嗪-10-甲酸酯盐酸盐
- 英文别名:2-[2-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate,hydrochloride;
Cothera;
EINECS 208-255-1;
Dimethoxanate HCl;
DIMETHOXANATE HYDROCHLORIDE;
Perlatos;
Dimetoxanate hydrochloride;
Dimethoxanate monohydrochloride;
Tussizid
- CAS No.:518-63-8
- 分子式:
C19H23ClN2O3S
- 分子量:394.92
- 精确分子量:394.11200
- PSA:67.31000
- InChI:The Key: ZJRHNNNACBPWEB-UHFFFAOYSA-N
- 分子结构式:
物化性质
- 沸点:
- 494ºC at 760 mmHg
- 闪点:
- 252.6ºC
安全信息
- 沸点:
- 494ºC at 760 mmHg
- 闪点:
- 252.6ºC
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- SN7525000
- CHEMICAL NAME :
- Phenothiazine-10-carboxylic acid, 2-(2-(dimethylamino)ethoxy)ethyl ester, monohydrochloride
- CAS REGISTRY NUMBER :
- 518-63-8
- LAST UPDATED :
- 199106
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C19-H22-N2-O3-S.Cl-H
- MOLECULAR WEIGHT :
- 394.95
- WISWESSER LINE NOTATION :
- T C666 BN ISJ BVO2O2N1&1 &GH
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 :
- 1500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 29ZVAB "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969 Volume(issue)/page/year: -,43,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 580 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 29ZVAB "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969 Volume(issue)/page/year: -,43,1969
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:5
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:67.3
7.重原子数量:26
8.表面电荷:0
9.复杂度:413
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