[(3-Hydroxy-2-methylpropyl)-[(2-hydroxyphenyl)methyl]amino]methylphosphonic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: [(3-Hydroxy-2-methylpropyl)-[(2-hydroxyphenyl)methyl]amino]methylphosphonic acid
• 英文别名: [(3-hydroxy-2-methylpropyl)-[(2-hydroxyphenyl)methyl]amino]methylphosphonic acid
• 化学式: C₁₂H₂₀NO₅P
• 分子量: 289.26
• InChiKey: SWZAYDFIKNPMDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.5
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  101
• 氢给体数：
  4
• 氢受体数：
  6

文献信息

• HYDROXYLATED CONTRAST ENHANCEMENT AGENTS
  申请人：Grimmond Brian James

  公开号：US20110245512A1

  公开（公告）日：2011-10-06

  In one aspect, the present invention provides a contrast enhancement agent comprising an iron chelate having structure I and salts thereof wherein R 1 is independently at each occurrence a hydroxy group, a C 1 -C 3 hydroxyalkyl group, or a C 1 -C 3 alkyl group, and b is 0-4; R 2 -R 7 are independently at each occurrence hydrogen, a C 1 -C 3 hydroxyalkyl group, or a C 1 -C 3 alkyl group, with the proviso that at least one of R 1 -R 7 is a hydroxy group or a C 1 -C 3 hydroxyalkyl group; and wherein Q is one or more charge balancing counterions. Also provided are a metal chelating ligand having structure IX and medical formulations comprising the contrast enhancement agent I.
• US8722020B2
  申请人：——

  公开号：US8722020B2

  公开（公告）日：2014-05-13