methyl 7-[1-[[7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carbonyl]oxymethoxycarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: methyl 7-[1-[[7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carbonyl]oxymethoxycarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate
• 化学式: C₄₅H₅₀F₂N₆O₁₀
• 分子量: 872.9
• InChiKey: VPNQVNPBJLLWIR-UHFFFAOYSA-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：
  13
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  160
• 氢给体数：
  1
• 氢受体数：
  17

文献信息

• [EN] STEROID ANTIBIOTIC CONJUGATES<br/>[FR] CONJUGUÉS STÉROÏDES-ANTIBIOTIQUES
  申请人：ALLERGAN INC

  公开号：WO2014138359A1

  公开（公告）日：2014-09-12

  The present invention describes steroid antibiotic conjugates. These single drug entities are formed connecting a steroid moiety and two same antibiotics moieties, or a steroid moiety and two different antibiotics moieties. Upon topical application to the eye, the conjugate hybrid would undergo enzymatic and/or hydrolytic cleavage to release the individual drugs.