2,4,6-Triiodo-3-(trifluoromethyl)phenol | 156575-42-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,4,6-Triiodo-3-(trifluoromethyl)phenol
• CAS: 156575-42-7
• 化学式: C₇H₂F₃I₃O
• 分子量: 539.8
• InChiKey: WEMYWTYCICTSBF-UHFFFAOYSA-N

物化性质

• 沸点：
  320.8±42.0 °C(Predicted)
• 密度：
  2.877±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Compositions of iodophenoxy alkanes and iodophenyl ethers for visualization of the gastrointestinal tract
  申请人：NYCOMED IMAGING AS

  公开号：EP0609586A2

  公开（公告）日：1994-08-10

  Disclosed are contrast agents of the formula or pharmaceuticaoly acceptable salts thereof, contained in aqueous compositions and methods for their use in diagnostic radiology of the gastrointestinal tract wherein Z =H, halo, C₁-C₂₀ alkyl, cycloalkyl, lower alkoxy, cyano, where the alkyl and cycloalkyl groups can be substituted with halogen or halo-lower-alkyl groups; R =C₁-C₂₅ alkyl, cycloalkyl, or halo-lower-alkyl, optionally substituted with halo, fluoro-lower-alkyl, aryl, lower-alkoxy, hydroxy, carboxy, lower-alkoxy carbonyl or lower-alkoxy-carbonyloxy, (CR₁R₂)p - (CR₃ = CR₄)mQ, or (CR₁R₂)p - C ≡ C - Q; R₁, R₂, R₃ and R₄ areindependently lower-alkyl, optionally substituted with halo; x is1-4; n is1-5; m is1-15; p is1-10; and Q isH, lower-alkyl, lower-alkenyl, lower-alkynyl, lower-alkylene, aryl, or aryl-lower alkyl.

  公开了式中的造影剂 或其药学上可接受的盐、 水性组合物中的造影剂及其在胃肠道放射诊断中的使用方法，其中 Z =H、卤素、C₁-C₂₀ 烷基、环烷基、低级烷氧基、氰基，其中烷基和环烷基可被卤素或卤代低级烷基取代； R =C₁-C₂₅烷基、环烷基或卤代低烷基，可选择被卤代、氟代低烷基、芳基、低级烷氧基取代、羟基、羧基、低级烷氧基羰基或低级烷氧基羰氧基、(CR₁R₂)p - (CR₃ = CR₄)mQ 或 (CR₁R₂)p - C ≡ C - Q； R₁、R₂、R₃ 和 R₄ 独立为低级烷基，可选被卤代取代； x 为 1-4 n 是 1-5 m 是 1-15； P 是 1-10；以及 Q 是H、低级烷基、低级烯基、低级炔基、低级亚烷基、芳基或芳基-低级烷基。
• Compositions of iodophenoxy alkanes and iodophenyl ethers in film-forming materials for visualization of the gastrointestinal tract
  申请人：NYCOMED IMAGING AS

  公开号：EP0609587A2

  公开（公告）日：1994-08-10

  Disclosed are x-ray contrast compositions for oral or retrograde examination of the gastrointestinal tract comprising a polymeric material capable of forming a coating on the gastrointestinal tract and an x-ray producing agent of the formula or a pharmaceutically acceptable salt thereof, and methods for their use in diagnostic radiology of the gastrointestinal tract wherein Z = H, halo, C1-C20 alkyl, cycloalkyl, lower alkoxy, cyano, where the alkyl and cycloalkyl groups can be substituted with halogen or halo-lower-alkyl groups; R = C1-C25 alkyl, cycloalkyl, or halo-lower-alkyl, optionally substituted with halo, fluoro-lower-alkyl, aryl, lower-alkoxy, hydroxy, carboxy lower-alkoxycarbonyl or lower-alkoxy-carbonyloxy, (CR1R2)p-CR3 =CR4)mQ, or (CR, R2)p-C=C-Q; Ri, R2, R3 and R4 are independently lower-alkyl, optionally substituted with halo; x is 1-4; n is 1-5; m is 1-15; p is 1-10; and Q is H, lower-alkyl, lower-alkenyl, lower-alkynyl, lower-alkylene, aryl, or aryl-lower alkyl in a pharmaceutically acceptable carrier.

  本发明公开了用于胃肠道口腔或逆行检查的 X 射线造影剂组合物，该组合物由一种可在胃肠道上形成涂层的聚合材料和一种 X 射线产生剂组成。 式的 X 射线产生剂 或其药学上可接受的盐、 及其在胃肠道放射诊断中的使用方法，其中 Z = H、卤素、C1-C20 烷基、环烷基、低级烷氧基、氰基，其中烷基和环烷基可被卤素或卤代低级烷基取代； R = C1-C25 烷基、环烷基或卤代低烷基，可任选被卤、氟代低烷基、芳基、低烷氧基、羟基、低烷氧基羰基或低烷氧基羰氧基、(CR1R2)p-CR3 =CR4)mQ 或 (CR、R2)p-C=C-Q 取代； Ri、R2、R3 和 R4 独立为低级烷基，可选被卤代取代； x 为 1-4 n 是 1-5 m 是 1-15； p 是 1-10；以及 Q 是 H、低级烷基、低级烯基、低级炔基、低级亚烷基、芳基或芳基-低级烷基 在药学上可接受的载体中。
• Compositions of iodophenyl esters and iodophenyl sulfonates in film-forming materials for visualization of the gastrointestinal tract
  申请人：NYCOMED IMAGING AS

  公开号：EP0617970A2

  公开（公告）日：1994-10-05

  Disclosed are x-ray contrast compositions for oral or retrograde examination of the gastrointestinal tract comprising a polymeric material capable of forming a coating on the gastrointestinal tract, said polymeric material having atoms containing polarizable electrons thereon, in combination with a divalent cation; and an x-ray contrast producing agent of the formula or a pharmaceutically accetable salt thereof, wherein X = or Z = H, halo, C1-C20 alkyl, cycloalkyl, lower alkoxy, cyano, where the alkyl and cycloalkyl groups can be substituted with halogen or halo-lower-alkyl groups; R = C1-C25 alkyl, cycloalkyl, aryl or halo-lower-alkyl, optionally substituted with halo, fluoro-lower-alkyl, lower-alkoxy, hydroxy, carboxy or lower-alkoxy carbonyl, lower-alkenyl, lower-alkynyl, lower-alkylene or lower-alkoxy-carbonyloxy, n is 1-5; y is 0-4; and w is 1-4, in a pharmaceutically acceptable carrier and a method of its use in diagnostic radiology of the GI tract.

  本发明公开了用于胃肠道口腔或逆行检查的 X 射线造影剂组合物，该组合物包括一种可在胃肠道上形成涂层的聚合材料，所述聚合材料上有含有可极化电子的原子，并与二价阳离子结合；以及一种X射线造影剂，其式为 或其可药用盐、 其中 X = 或 Z = H、卤素、C1-C20 烷基、环烷基、低级烷氧基、氰基，其中烷基和环烷基可被卤素或卤代低级烷基取代； R = C1-C25 烷基、环烷基、芳基或卤代低烷基，可任选被卤代、氟代低烷基、低烷氧基、羟基、羧基或低烷氧基羰基、低烯基、低炔基、低亚烷基或低烷氧基羰氧基取代、 n 是 1-5 y 是 0-4；以及 w 为 1-4、 在药学上可接受的载体中，及其在消化道放射诊断中的使用方法。
• Compositions of iodophenyl esters and iodophenyl sulfonates for visualization of the gastrointestinal tract
  申请人：NYCOMED IMAGING AS

  公开号：EP0617969A2

  公开（公告）日：1994-10-05

  Disclosed are contrast agents of the formula or a pharmaceutically acceptable salt thereof,    contained in aqueous compositions and methods for their use in diagnostic radiology of the gastrointestinal tract wherein X=   or ―SO₂―; Z=  H, halo, C₁-C₂₀ alkyl, cycloalkyl, lower alkoxy, cyano, where the alkyl and cycloalkyl groups can be substituted with halogen or halo-lower-alkyl groups; R=  C₁-C₂₅ alkyl, cycloalkyl, aryl, or halo-lower-alkyl, optionally substituted with halo, fluoro-lower-alkyl, aryl, lower-alkoxy, hydroxy, carboxy or lower-alkoxy carbonyl, lower-alkenyl, lower-alkynyl, lower-alkylene, lower-alkoxy-carbonyloxy; n =  1-5; y =  0-4; and w =  1-4.

  公开了式中的造影剂 或其药学上可接受的盐、 水性组合物中的造影剂及其在胃肠道放射诊断中的使用方法 其中 X= 或-SO₂-； Z= H、卤素、C₁-C₂₀烷基、环烷基、低级烷氧基、氰基，其中烷基和环烷基可被卤素或卤代低级烷基取代； R= C₁-C₂₅烷基、环烷基、芳基或卤代低烷基，可任选被卤代、氟代低烷基、芳基、低级烷氧基、羟基、羧基或低级烷氧基羰基、低级烯基、低级炔基、低级亚烷基、低级烷氧基羰氧基取代； n = 1-5; y = 0-4；以及 w = 1-4.
• USE OF DERIVATIVES OF 2,4-DISUBSTITUTED PHENOLS AS 5-LIPOXIGENASE INHIBITORS
  申请人：BOBEL246 S.L.

  公开号：EP0707849B1

  公开（公告）日：2001-12-19