84494-70-2

• 常用中文名：二十烷五烯酸乙酯
• 常用英文名：Eicosapentaenoic acid ethyl ester
• CAS号：84494-70-2
• 分子式：C₂₂H₃₄O₂
• 分子量：330.51
• 发布时间：2018-04-02 08:00:00
• 更新时间：2024-01-04 13:28:23

名称

• 中文名: 二十烷五烯酸乙酯
• 英文名: Eicosapentaenoic acid ethyl ester
• 中文别名: 5,8,11,14,17-二十碳五烯酸乙酯
• 英文别名: tert-Butyl 6-O-acetyl-2,4-dideoxy-3,5-O-isopropylidene-D-erythro-hexonate; tert-butyl 6-O-acetyl-2,4-dideoxy-3,5-O-(1-methylethylidene)-D-erythro-hexonate; 2-Methyl-2-propanyl 6-O-acetyl-2,4-dideoxy-3,5-O-isopropylidene-D-erythro-hexonate; 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*)]; D-erythro-Hexonic acid, 2,4-dideoxy-3,5-O-(1-methylethylidene)-, 1,1-dimethylethyl ester, acetate; 5,8,11,14,17-Eicosapentaenoic Acid Ethyl Ester

物化性质

• 密度: 0.91g/cm3
• 沸点: 417.037°C at 760 mmH
• 分子式: C₂₂H₃₄O₂
• 分子量: 330.51
• 闪点: 103.094°C
• 精确质量: 330.256
• PSA: 26.30000
• LogP: 7.32
• 蒸汽压: 0.0±1.0 mmHg at 25°C
• 折射率: 1.496
• 计算化学:

  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

毒性和生态

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； 小鼠腹膜腔 LD50 ：>20mg/kg；小鼠皮下LD50：>20mg/kg； 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