5,8,11,14,17-Eicosapentaenoicacid, ethyl ester
- 中文别名：二十烷五烯酸乙酯
- 中文释义：二十烷五烯酸乙酯;二十碳五烯酸乙酯
- 英文别名：EICOSAPENTAENOIC ACID ETHYL ESTER;
12-Oxa-2,6,10-triazatetradecanoic acid,4,8-dihydroxy-13,13-dimethyl-3-[[4-[3-(4-morpholinyl)propoxy]phenyl]methyl]-11-oxo-9-(phenylmethyl)-,1,1-dimethylethyl ester,[3S-(3R*,4S*,8S*,9R*)]
- CAS No.：84494-70-2
- 分子式：C22H34O2
- 分子量：330.5042
- 精确分子量：330.25600
- PSA：26.30000
- 分子结构式：
物化性质
- 密度：
- 0.909g/cm3
- 沸点：
- 417ºC at 760 mmHg
- 闪点：
- 103.1ºC
- 折射率：
- 1.495
安全信息
- 密度：
- 0.909g/cm3
- 沸点：
- 417ºC at 760 mmHg
- 闪点：
- 103.1ºC
- 折射率：
- 1.495
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- JX3840000
- CHEMICAL NAME :
- 5,8,11,14,17-Eicosapentaenoic acid, ethyl ester
- CAS REGISTRY NUMBER :
- 84494-70-2
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C22-H34-O2
- MOLECULAR WEIGHT :
- 330.56
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 :
- >20 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 20,801,1989
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 15 gm/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - acute pulmonary edema Gastrointestinal - other changes
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 20,801,1989
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >20 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 20,801,1989
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >20 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 20,801,1989
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >20 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 20,801,1989
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >20 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 20,801,1989
- 毒理学数据：
急性毒性：大鼠经口LD50：>20mg/kg；大鼠腹膜腔LD50：15mg/kg；大鼠皮下LD50：>20mg/kg；小鼠经口LD50：>20mg/kg；
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）：6.3
2、 氢键供体数量：0
3、 氢键受体数量：2
4、 可旋转化学键数量：15
5、 互变异构体数量：
6、 拓扑分子极性表面积（TPSA）：26.3
7、 重原子数量：24
8、 表面电荷：0
9、 复杂度：425
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：5
14、不确定化学键立构中心数量：0
15、共价键单元数量：1
