5-Amino-2-methyl-3-nitrobenzoic acid | 89977-12-8

• 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-Amino-2-methyl-3-nitrobenzoic acid
• CAS: 89977-12-8
• 化学式: C8H8N2O4
• 分子量: 196.16
• InChiKey: OQNCKOPCRLYKOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Contrast Agents and Diagnostic Compositions Based on Iodine-Containing Cyanuric Acid Derivatives
  申请人：Axelsson Oskar

  公开号：US20080267884A1

  公开（公告）日：2008-10-30

  The present invention relates to a class of compounds of Formula (I) and to diagnostic compositions containing such compounds where the compounds are iodine containing compounds. More specifically the iodine containing compounds are chemical compounds containing a cyanuric acid scaffolding moiety allowing for the arrangement of three iodinated phenyl groups bound thereto. 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（I）和含有这种化合物的诊断组合物，其中这些化合物是含碘的化合物。更具体地说，这些含碘化合物是化学化合物，含有一种三聚氰酸支架基团，可使三个碘化苯基团与其结合。本发明还涉及将这种诊断组合物用作对比剂在诊断成像中的应用，特别是在X射线成像中，以及含有这种化合物的对比介质。
• [EN] CONTRAST AGENTS AND DIAGNOSTIC COMPOSITIONS BASED ON IODINE-CONTAINING CYANURIC ACID DERIVATIVES<br/>[FR] AGENTS DE CONTRASTE ET PRÉPARATIONS POUR DIAGNOSTIC BASÉES SUR DES DÉRIVÉS D'ACIDE CYANURIQUE CONTENANT DE L'IODE
  申请人：GE HEALTHCARE AS

  公开号：WO2007055580A1

  公开（公告）日：2007-05-18

  [EN] The present invention relates to a class of compounds of Formula (I) and to diagno stic compositions containing such compounds where the compounds are iodine conta ining compounds. More specifically the iodine containing compounds are chemical compounds containing a cyanuric acid scaffolding moiety allowing for the arrange ment of three iodinated phenyl groups bound thereto. The invention also relates to the use of such diagnostic compositions as contrast agents in diagnostic imag ing and in particular in X-ray imaging and to contrast media containing such com pounds .
  [FR] La présente invention a pour objet une classe de composés de Formule (I) et des préparations pour diagnostic comprenant de tels composés. Lesdits composés contiennent de l'iode. Lesdits composés portent plus spécifiquement un groupement d'attache de type acide cyanurique, qui permet l'arrimage de trois groupements phényle iodés. La présente invention a également pour objet l'emploi de telles préparations pour diagnostic en tant qu'agents de contraste dans l'imagerie de diagnostic, en particulier l'imagerie par rayons X, ainsi que des dispositifs de contraste employant de tels composés.