10-[2-oxo-2-[[3-[[2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]ethyl]amino]propyl]amino]ethyl]-1,4,7,10-tetraazacyclododecan-1,4,7-triacetic acid | 174267-54-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 10-[2-oxo-2-[[3-[[2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]ethyl]amino]propyl]amino]ethyl]-1,4,7,10-tetraazacyclododecan-1,4,7-triacetic acid
• 英文别名: 2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-[3-[2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethylamino]propylamino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• CAS: 174267-54-0
• 化学式: C₄₅H₇₉N₇O₁₁
• 分子量: 894.163
• InChiKey: MYMRSPJKXLUXLG-PWDFDWBSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.5
• 重原子数：
  63
• 可旋转键数：
  19
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  256
• 氢给体数：
  9
• 氢受体数：
  16

文献信息

• BILE ACID CONJUGATES, DERIVATIVES THEREOF WITH METAL COMPLEXES AND RELATED USES
  申请人：BRACCO S.p.A.

  公开号：EP0760683B1

  公开（公告）日：2000-01-05
• Use of bile acid derivatives conjugated with metal ion chelated complexes for the diagnostic assessment of microvascular permeability
  申请人：Cavagna Friedrich

  公开号：US20070059246A1

  公开（公告）日：2007-03-15

  The use of contrast agents of molecular weight lower than 5000 Dalton and including at least one residue of a biliary acid for the preparation of diagnostic contrast compositions for the microvascular permeability assessment is disclosed.
• US5649537A
  申请人：——

  公开号：US5649537A

  公开（公告）日：1997-07-22