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酪泮酸钠 基本信息
- 中文名称：
- 酪泮酸钠
- 中文别名：
- 酪泮酸钠
- 英文名称：
- Benzenepropanoic acid, a-ethyl-2,4,6-triiodo-3-[(1-oxobutyl)amino]-,sodium salt (1:1)
- 英文别名：
- sodium,2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]butanoate;
Bilopac;
Bilopaque;
Sodium tyropanoate;
Lumopaque;
Tyropaque;
Natrii tyropanoas;
Natrium tyropanoat;
Tyropanoate sodium
- CAS No.：
- 7246-21-1
- 分 子 式：
- C15H18I3NO3.Na
- 分 子 量：
- 663.02
- 精确分子量：
- 662.82400
- PSA：
- 69.23000
- EINECS：
- 230-653-9
- InChI：
- The Key: KTVKGXZZBQCBGD-UHFFFAOYSA-M
- 安全术语：
- Moderately toxic by intravenous and subcutaneous route. Mildly toxic by ingestion. When heated to decomposition it emits very toxic fumes of I−, NOx, and Na2O.
- 分子结构式：
-
- SDS：
- 查看
酪泮酸钠 物化性质
- 沸点：
- 608.7ºC at 760 mmHg
- 闪点：
- 321.9ºC
酪泮酸钠 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- MW5100000
- CHEMICAL NAME :
- Hydrocinnamic acid,
3-butyramido-alpha-ethyl-2,4,6-triiodo-, sodium salt
- CAS REGISTRY NUMBER :
- 7246-21-1
- LAST UPDATED :
- 199603
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C15-H17-I3-N-O3.Na
- MOLECULAR WEIGHT :
- 663.02
- WISWESSER LINE NOTATION :
- OVY2&1R BI DI FI CMV3 &-NA-
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 :
- 6500 mg/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: 6,467,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2850 mg/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: 6,467,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 860 mg/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: 6,467,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4200 mg/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: 6,467,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2300 mg/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: 6,467,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 720 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc.,
Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
20037) V.6- 1963- Volume(issue)/page/year: 13,997,1970
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 18 gm/kg/30D-I
- TOXIC EFFECTS :
- Liver - fatty liver degeneration
- REFERENCE :
- YKYUA6 Yakkyoku. Pharmacy. (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo,
Japan) V.1- 1950- Volume(issue)/page/year: 29,1383,1978
*** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***
NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA :
NOES - National Occupational Exposure Survey (1983)
NOES Hazard Code - X5361
No. of Facilities: 19 (estimated)
No. of Industries: 1
No. of Occupations: 2
No. of Employees: 446 (estimated)
No. of Female Employees: 295 (estimated)
酪泮酸钠 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:1
3.氢键受体数量:3
4.可旋转化学键数量:7
5.互变异构体数量:3
6.拓扑分子极性表面积:69.2
7.重原子数量:23
8.表面电荷:0
9.复杂度:400
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:2
