泊利噻嗪

  • 基本信息
  • 物化性质
  • 毒理性
  • 结构与计算化学

泊利噻嗪 基本信息

中文名称:
泊利噻嗪 
中文别名:
泊利噻嗪;
三氟硫醚甲噻嗪 聚噻嗪 多噻嗪 
英文名称:
2H-1,2,4-Benzothiadiazine-7-sulfonamide,6-chloro-3,4-dihydro-2-methyl-3-[[(2,2,2-trifluoroethyl)thio]methyl]-,1,1-dioxide
英文别名:
6-chloro-2-methyl-1,1-dioxo-3-(2,2,2-trifluoroethylsulfanylmethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide;
Polythiazide;
Polythiazidum;
Politiazida;
Nephril;
P-2525;
Renese;
Drenusil 
CAS No.:
346-18-9
分 子 式:

C11H13ClF3N3O4S3

分 子 量:
439.88
精确分子量:
438.97100
PSA:
151.63000
EINECS:
206-468-4
InChI:
The Key: CYLWJCABXYDINA-UHFFFAOYSA-N
危险品标志:

 

风险术语:

 

安全术语:

 

分子结构式:
SDS:
查看

泊利噻嗪 物化性质

密度:
1.598g/cm3
沸点:
580.1ºC at 760mmHg
闪点:
304.7ºC
折射率:
1.566

泊利噻嗪 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DK9275000
CHEMICAL NAME :
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-2-methyl- 3-(((2,2,2-trifluoroethyl)thio)methyl)-, 1,1-dioxide
CAS REGISTRY NUMBER :
346-18-9
LAST UPDATED :
199709
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C11-H13-Cl-F3-N3-O4-S3
MOLECULAR WEIGHT :
439.90
WISWESSER LINE NOTATION :
T66 BSWN EM DHJ C1 D1S1XFFF HG ISZW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
300 ug/kg/5D-I
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - coma Nutritional and Gross Metabolic - other changes
REFERENCE :
AJMEAZ American Journal of Medicine. (Technical Pub., 875 Third Ave., New York, NY 10022) V.1- 1946- Volume(issue)/page/year: 70,1163,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>10 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 21,775,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
400 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: -,97,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,793,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 21,775,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
450 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: -,97,1969

泊利噻嗪 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:2

3.氢键受体数量:11

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积:152

7.重原子数量:25

8.表面电荷:0

9.复杂度:692

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:1

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

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产品介绍:
产品名称:泊利噻嗪 Cas号:346-18-9 纯度: 包装信息:500kg,400kg,300kg,200kg,100kg 价格:64.0元 - 100.0元
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