4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol | 910879-69-5

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 金鸡纳生物碱
• 英文名称: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
• CAS: 910879-69-5
• 化学式: C43H40N2O8
• 分子量: 712.8
• InChiKey: AKYMNJLEISGLKE-NZKRHKGYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.56
• 重原子数：
  53
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  161
• 氢给体数：
  5
• 氢受体数：
  10

文献信息

• QUININE AND QUINIDINE SALTS, METHODS FOR MAKING THEM, AND PHARMACEUTICAL FORMULATIONS COMPRISING THEM
  申请人：REMON Jean Paul

  公开号：US20090239900A1

  公开（公告）日：2009-09-24

  The present invention provides a combination of: a N-containing drug molecule salt, wherein said drug molecule is selected from the group consisting of quinine and quinidine, and an aromatic mono- or dicarboxylic acid salt, e.g. quinine pamoate, which is useful for a pharmaceutical formulation such as a pediatric suspension, especially in the treatment of malaria.