5-(2-hydroxyacetylamino)-N-(2,3-dihydroxy-propyl)-N'-{3-[3-(2,3-dihydroxy-propylcarbamoyl)-2,4,6-triiodo-benzoylamino]-2-hydroxy-propyl}-2,4,6-triiodo-N-methyl-5-[methyl-(2,3,4-trihydroxy-butyryl)-amino]-isophthalamide | 1143519-43-0

• 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: 5-(2-hydroxyacetylamino)-N-(2,3-dihydroxy-propyl)-N'-{3-[3-(2,3-dihydroxy-propylcarbamoyl)-2,4,6-triiodo-benzoylamino]-2-hydroxy-propyl}-2,4,6-triiodo-N-methyl-5-[methyl-(2,3,4-trihydroxy-butyryl)-amino]-isophthalamide
• 英文别名: 3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-[methyl(2,3,4-trihydroxybutanoyl)amino]benzoyl]amino]-2-hydroxypropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
• CAS: 1143519-43-0
• 化学式: C₃₃H₄₀I₆N₆O₁₅
• 分子量: 1522.14
• InChiKey: CXVDICVLYXBGLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.4
• 重原子数：
  60
• 可旋转键数：
  20
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  339
• 氢给体数：
  13
• 氢受体数：
  15

文献信息

• [EN] CONTRAST AGENTS<br/>[FR] PRODUITS DE CONTRASTE
  申请人：GE HEALTHCARE AS

  公开号：WO2009047316A1

  公开（公告）日：2009-04-16

  The present invention relates to a class of compounds and to diagnostic compositions containing such compounds where the compounds are iodine containing compounds. More specifically the iodine containing compounds are chemical compounds containing two linked iodinated phenyl groups of the general formula (I) and salts or optical active isomers thereof, wherein each of R1, R2 and R3 independently are the same or different and denote a hydrogen atom or a C1 to C4 straight of branched alkyl group; each R4 independently are the same or different and denote C1 to C6 straight of branched alkyl moieties substituted by up to 6 -OH groups; and each R5 independently are the same or different and denote C1 to C6 straight of branched alkyl moieties substituted by up to 6 -OH groups provided that at least one alkyl group is substituted with at least 2 hydroxy groups. The invention also relates to the use of such diagnostic compositions as contrast agents in diagnostic imaging and in particular in X-ray imaging, and to contrast media containing such compounds.

  本发明涉及一类化合物和包含这些化合物的诊断组合物，其中这些化合物是含碘化合物。更具体地说，这些含碘化合物是化学化合物，包含两个连接的碘化苯基团，其一般式为（I）的盐或光学活性异构体，其中R1、R2和R3各自独立地相同或不同，并表示氢原子或C1到C4的直链或支链烷基；每个R4各自独立地相同或不同，并表示C1到C6的直链或支链烷基，被高达6个-OH基取代；每个R5各自独立地相同或不同，并表示C1到C6的直链或支链烷基，被高达6个-OH基取代，但至少有一个烷基被至少2个羟基取代。本发明还涉及将这种诊断组合物作为对比剂在诊断成像中使用，特别是在X射线成像中使用，并涉及含有这种化合物的对比介质。
• CONTRAST AGENTS
  申请人：Wynn Duncan George

  公开号：US20100209356A1

  公开（公告）日：2010-08-19

  The present invention relates to a class of compounds and to diagnostic compositions containing such compounds where the compounds are iodine containing compounds. More specifically the iodine containing compounds are chemical compounds containing two linked iodinated phenyl groups of the general formula (I) and salts or optical active isomers thereof, wherein each of R 1 , R 2 and R 3 independently are the same or different and denote a hydrogen atom or a C 1 to C 4 straight of branched alkyl group; each R 4 independently are the same or different and denote C 1 to C 6 straight of branched alkyl moieties substituted by up to 6 —OH groups; and each R 5 independently are the same or different and denote C 1 to C 6 straight of branched alkyl moieties substituted by up to 6 —OH groups provided that at least one alkyl group is substituted with at least 2 hydroxy groups. The invention also relates to the use of such diagnostic compositions as contrast agents in diagnostic imaging and in particular in X-ray imaging, and to contrast media containing such compounds.

  本发明涉及一类化合物及含有该类化合物的诊断组合物，其中该类化合物为含有碘的化合物。更具体地，该含碘化合物是化学化合物，包含通式（I）中两个连接的碘化苯基团及其盐或光学活性异构体，其中每个R1、R2和R3独立地相同或不同，并表示氢原子或C1到C4的直链或支链烷基；每个R4独立地相同或不同，并表示被多达6个-OH基取代的C1到C6的直链或支链烷基基团；每个R5独立地相同或不同，并表示被多达6个-OH基取代的C1到C6的直链或支链烷基基团，前提是至少一个烷基基团被至少2个羟基取代。本发明还涉及将这种诊断组合物用作诊断成像中的造影剂，特别是在X射线成像中，并涉及包含这种化合物的对比介质。