1H-Pyrazole-3-propanamide,5-(4-chlorophenyl)-N-hydroxy-1-(4-methoxyphenyl)-N-methyl-
- 中文别名：替泊沙林
- 中文释义：替泊沙林
- 英文别名：tepoxalin;
3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-pyrazolyl]-N-hydroxy-N-methylpropanamide;
Tepoxaline;
Tepoxalina;
Tepoxalina [Spanish];
5-(4-chlorophenyl)-N-hydroxy-1-(4-methoxyphenyl)-N-methyl-1H-pyrazole-3-propanamide;
3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpropanamide;
TEPOXALIN;
Tepoxaline [French];
Tepoxalinum [Latin]
- CAS No.：103475-41-8
- 分子式：
C20H20ClN3O3
- 分子量：385.84400
- 精确分子量：385.11900
- PSA：67.59000
- InChI：InChI=1/C20H20ClN3O3/c1-23(26)20(25)12-7-16-13-19(14-3-5-15(21)6-4-14)24(22-16)17-8-10-18(27-2)11-9-17/h3-6,8-11,13,26H,7,12H2,1-2H3
- 分子结构式：
物化性质
- 密度：
- 1.26 g/cm3
- 沸点：
- 573ºC at 760 mmHg
- 闪点：
- 300.3ºC
- 折射率：
- 1.61
- 蒸汽压：
- 5.72E-14mmHg at 25°C
安全信息
- 密度：
- 1.26 g/cm3
- 沸点：
- 573ºC at 760 mmHg
- 闪点：
- 300.3ºC
- 折射率：
- 1.61
- 蒸汽压：
- 5.72E-14mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UQ8002500
- CHEMICAL NAME :
- 1H-Pyrazole-3-propanamide, 5-(4-chlorophenyl)-N-hydroxy-1-(4-methoxyphenyl)-N-me thyl-
- CAS REGISTRY NUMBER :
- 103475-41-8
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C20-H20-Cl-N3-O3
- MOLECULAR WEIGHT :
- 385.88
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1085 mg/kg/31D-I
- TOXIC EFFECTS :
- Blood - pigmented or nucleated red blood cells Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Blood - changes in erythrocyte (RBC) count
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 33,38,1996
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 7280 mg/kg/26W-I
- TOXIC EFFECTS :
- Liver - changes in liver weight Blood - pigmented or nucleated red blood cells Blood - changes in erythrocyte (RBC) count
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 33,38,1996
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 54600 mg/kg/26W-I
- TOXIC EFFECTS :
- Gastrointestinal - alteration in gastric secretion Gastrointestinal - ulceration or bleeding from stomach
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 33,38,1996
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）:3.4
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:67.6
7.重原子数量:27
8.表面电荷:0
9.复杂度:479
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:1
