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10H-Phenothiazine-10-carboxylicacid, 2-[2-(dimethylamino)ethoxy]ethyl ester, hydrochloride (1:1)

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

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