(3β,5β,7α,12α)-3-[[5-[4,7,10-tris(carboxymethyl)1,4,7,10-tetraazacyclododecyl]-4-hydroxy-1-oxopentyl]amino]-7,12-dihydroxy-cholan-24-oic acid | 174267-87-9

• 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: (3β,5β,7α,12α)-3-[[5-[4,7,10-tris(carboxymethyl)1,4,7,10-tetraazacyclododecyl]-4-hydroxy-1-oxopentyl]amino]-7,12-dihydroxy-cholan-24-oic acid
• 英文别名: (4R)-4-[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-3-[[4-hydroxy-5-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
• CAS: 174267-87-9
• 化学式: C₄₃H₇₃N₅O₁₂
• 分子量: 852.079
• InChiKey: BZBHWWNIGSDIJM-SFRGPCBISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.2
• 重原子数：
  60
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  252
• 氢给体数：
  8
• 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