317-52-2

• 常用中文名：己芴溴铵
• 常用英文名：Hexafluronium Bromide
• CAS号：317-52-2
• 分子式：C₃₆H₄₂Br₂N₂
• 分子量：662.54000
• 相关类别： 信号通路 神经信号通路 疼痛
• 发布时间：2018-04-02 08:00:00
• 更新时间：2024-01-05 09:12:02
• 二溴六氟(Mylasen)是一种有效的胆碱酯酶(ChE)抑制剂,其pI50值为6.96,Ki值为2.4nM,适用于人血浆胆碱酯酯酶(ChE)[1]。

名称

• 中文名: 己芴溴铵
• 英文名: 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium,dibromide
• 英文别名: N,N'-di-fluoren-9-yl-N,N,N',N'-tetramethyl-N,N'-hexanediyl-di-ammonium,dibromide; Esafluronio bromuro; Milaxen; Hexafluorenium dibromide; hexafluorenium bromide; Hexafluroniumbromid; hexafluorenium; Hexafluronii bromidum; N,N'-Di-fluoren-9-yl-N,N,N',N'-tetramethyl-N,N'-hexandiyl-di-ammonium,Dibromid; Hexafluronium bromide; Mylaxen; N,N'-di-9H-fluoren-9-yl-N,N,N',N'-tetramethyl-1,6-hexanediaminium

物化性质

• 分子式: C₃₆H₄₂Br₂N₂
• 分子量: 662.54000
• 精确质量: 660.17100
• LogP: 2.24760
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  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:9

  5.互变异构体数量:无

  6.拓扑分子极性表面积:0

  7.重原子数量:40

  8.表面电荷:0

  9.复杂度:663

  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:3

生物活性

• 描述: 二溴六氟(Mylasen)是一种有效的胆碱酯酶(ChE)抑制剂,其pI50值为6.96,Ki值为2.4nM,适用于人血浆胆碱酯酯酶(ChE)[1]。
• 相关类别:
  研究领域 >> 神经疾病
  信号通路 >> 神经信号通路 >> 疼痛

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : BQ8225000 CHEMICAL NAME : Ammonium, hexamethylenebis(fluoren-9-yldimethyl-, dibromide CAS REGISTRY NUMBER : 317-52-2 LAST UPDATED : 199012 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C36-H42-N2.2Br MOLECULAR WEIGHT : 662.62 WISWESSER LINE NOTATION : L B656 HHJ HK1&1&6K1&1&- HL B656 HHJ &E 2 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Human DOSE/DURATION : 400 ug/kg TOXIC EFFECTS : Gastrointestinal - nausea or vomiting Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase REFERENCE : 85IVAW "Possible Long-Term Health Effects of Short-Term Exposure to Chemical Agents," National Research Council, 3 vols., Washington, DC, National Academy Press, 1982-85 Volume(issue)/page/year: 1,E1,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 20 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada) TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 280 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 85,603,1954 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 240 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 85,603,1954 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1760 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 2,233,1959 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 80 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PHTXA6 Pharmacology and Toxicology. English translation of FATOAO. (New York, NY) V.20-22, 1957-59. Discontinued. Volume(issue)/page/year: 22,200,1959

安全

• 海关编码: 2923900090

合成路线

629-03-8 ~% 317-52-2

文献：Cavallito et al. Journal of the American Chemical Society, 1954 , vol. 76, p. 1862,1865

111-18-2 1940-57-4 ~% 317-52-2

文献：Cavallito et al. Journal of the American Chemical Society, 1954 , vol. 76, p. 1862,1865

上下游产品

上游产品  3
629-03-8 111-18-2 1940-57-4
下游产品  0

海关

海关编码	2923900090
中文概述	2923900090 其他季铵盐及季铵碱。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2923900090 other quaternary ammonium salts and hydroxides。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%