6-Quinazolinesulfonamide,7-chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo-
- 中文别名：喹乙唑酮
- 中文释义：喹噻酮;喹乙宗
- 英文别名：7-chloro-2-ethyl-4-oxo-2,3-dihydro-1H-quinazoline-6-sulfonamide;
Quinethazonum;
7-Chlor-2-aethyl-6-sulfamoyl-1,2,3,4-tetrahydro-4-chinazolinon;
7-chloro-2-ethyl-4-oxo-1,2,3,4-tetrahydro-quinazoline-6-sulfonic acid amide;
Chinethazonum;
QUINETHAZONE;
Idrokin;
7-Chlor-6-sulfamoyl-2-aethyl-4-oxo-1,2,3,4-tetrahydro-chinazolin;
Quinetazona;
7-chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo-6-quinazolinesulfonamide;
Hydromox;
Quinethazon;
Quimethazin;
Aquamox
- CAS No.：73-49-4
- 分子式：C10H12ClN3O3S
- 分子量：289.73858
- 精确分子量：289.02900
- PSA：109.67000
- InChI：The Key: AGMMTXLNIQSRCG-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 外观与性状：
- 白色粉末
- 密度：
- 1.425g/cm3
- 熔点：
- 250 - 252ºC
- 折射率：
- 1.582
安全信息
- 外观与性状：
- 白色粉末
- 密度：
- 1.425g/cm3
- 熔点：
- 250 - 252ºC
- 折射率：
- 1.582
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- VA1679500
- CHEMICAL NAME :
- 6-Quinazolinesulfonamide, 1,2,3,4-tetrahydro-7-chloro-2-ethyl-4-oxo-
- CAS REGISTRY NUMBER :
- 73-49-4
- BEILSTEIN REFERENCE NO. :
- 0818554
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C10-H12-Cl-N3-O3-S
- MOLECULAR WEIGHT :
- 289.76
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 :
- >10 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: 6,201,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5486 No. of Facilities: 16 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 94 (estimated) No. of Female Employees: 62 (estimated)
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）:1.2
2.氢键供体数量:3
3.氢键受体数量:5
4.可旋转化学键数量:2
5.互变异构体数量:7
6.拓扑分子极性表面积:110
7.重原子数量:18
8.表面电荷:0
9.复杂度:436
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
