雷利托林
- 中文名称：
- 雷利托林
- 中文别名：
- 雷利托林
- 英文名称：
- Acetamide,N-(2-chloro-6-methylphenyl)-2-(3-methyl-4-oxo-2-thiazolidinylidene)-, (2Z)-
- 英文别名：
- (2Z)-N-(2-chloro-6-methylphenyl)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide;
Acetamide,N-(2-chloro-6-methylphenyl)-2-(3-methyl-4-oxo-2-thiazolidinylidene)-,(Z);
CI-946;
Ralitolinum [Latin];
GOE-4942;
Ralitoline;
Ralitolina [Spanish];
(Z)-N-(2-Chloro-6-methylphenyl)-(3-methyl-4-oxothiazolidine-2-ylidene)acetamide
- CAS No.：
- 93738-40-0
- 分 子 式：
-
C13H13ClN2O2S
- 分 子 量：
- 0
- 精确分子量：
- 296.03900
- PSA：
- 74.71000
- 分子结构式：
-
- SDS：
- 查看
雷利托林 物化性质
- 密度：
- 1.468g/cm3
- 沸点：
- 522.7ºC at 760mmHg
- 闪点：
- 269.9ºC
- 折射率：
- 1.724
雷利托林 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XJ5132000
- CHEMICAL NAME :
- delta(sup 2,alpha)Thiazolidineaceto-o-toluidide,
6'-chloro-3-methyl-4-oxo-, (Z)-
- CAS REGISTRY NUMBER :
- 93738-40-0
- LAST UPDATED :
- 199706
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C13-H13-Cl-N2-O2-S
- MOLECULAR WEIGHT :
- 296.79
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 :
- 1350 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540,
08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year:
10,920,1985
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1350 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540,
08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year:
10,920,1985
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 600 mg/kg
- SEX/DURATION :
- female 6-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - other effects
- REFERENCE :
- TJADAB Teratology, The International Journal of Abnormal Development. (Alan
R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968-
Volume(issue)/page/year: 51,11,1995
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 1200 mg/kg
- SEX/DURATION :
- female 6-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
e.g., stunted fetus)
- REFERENCE :
- TJADAB Teratology, The International Journal of Abnormal Development. (Alan
R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968-
Volume(issue)/page/year: 51,11,1995
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 1800 mg/kg
- SEX/DURATION :
- female 6-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
Reproductive - Specific Developmental Abnormalities - other developmental
abnormalities
- REFERENCE :
- TJADAB Teratology, The International Journal of Abnormal Development. (Alan
R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968-
Volume(issue)/page/year: 51,11,1995
雷利托林 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）:2.2
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:2
5.互变异构体数量:4
6.拓扑分子极性表面积:74.7
7.重原子数量:19
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:1
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
