2H-1,2,4-Benzothiadiazine-7-sulfonamide,6-(trifluoromethyl)-, 1,1-dioxide
- 中文别名：氟甲噻嗪
- 中文释义：氟甲噻嗪;6-Trifluoromethyl-7-sulfamoyl-4H-1,2,4-benzothiazine 1,1-dioxide
- 英文别名：1,1-dioxo-6-(trifluoromethyl)-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide;
Flumethiazid;
Flumetiazid;
6-Trifluormethyl-7-sulfamoyl-2H-benzo-1,2,4-thiadiazol-S,S-dioxid;
7-Sulfamoyl-6-trifluormethyl-1,2,4-benzothiadiazin-dioxid-(1,1);
Flumethiazide;
Ademil;
Trifluoromethylthiazide;
Routrax;
6-trifluoromethyl-7-sulfamoyl-1,2,4-benzothiadiazine-1,1-dioxide;
Flumethazide;
Trifluomethylthiazide;
Ademol;
Fludemil
- CAS No.：148-56-1
- 分子式：C8H6F3N3O4S2
- 分子量：329.278
- 精确分子量：328.97500
- PSA：135.45000
- InChI：The Key: RGUQWGXAYZNLMI-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.99g/cm3
- 沸点：
- 560ºC at 760mmHg
- 折射率：
- 1.673
安全信息
- 密度：
- 1.99g/cm3
- 沸点：
- 560ºC at 760mmHg
- 折射率：
- 1.673
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DK9800000
- CHEMICAL NAME :
- 4H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-(trifluoromethyl)-, 1,1-dioxide
- CAS REGISTRY NUMBER :
- 148-56-1
- LAST UPDATED :
- 199601
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C8-H6-F3-N3-O4-S2
- MOLECULAR WEIGHT :
- 329.29
- WISWESSER LINE NOTATION :
- T66 BSWM ENJ HXFFF ISZW
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >8 gm/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 134,273,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1760 mg/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 134,273,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 910 mg/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - ataxia Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 128,405,1960
海关数据
中国海关编码：2935009090
- 概述：
- 2935009090 其他磺（酰）胺. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:35.0%
- 申报要素：
- 品名, 成分含量, 用途
- 摘要/Summary：
- 2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%
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:9
4.可旋转化学键数量:1
5.互变异构体数量:2
6.拓扑分子极性表面积135
7.重原子数量:20
8.表面电荷:0
9.复杂度:617
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
