2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)oxymethyl]-1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxymethyl]-1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;3-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]propyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)oxymethyl]-1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxymethyl]-1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;3-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]propyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate
• 化学式: C116H116ClF4N11O24
• 分子量: 2159.7
• InChiKey: POVZSVGJPSWYOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.87
• 重原子数：
  156
• 可旋转键数：
  36
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  394
• 氢给体数：
  4
• 氢受体数：
  37

文献信息

• ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS
  申请人：ALLERGAN, INC.

  公开号：EP2964265A1

  公开（公告）日：2016-01-13
• [EN] ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS<br/>[FR] CONJUGUÉS D'ANTIBIOTIQUES AVEC DES MÉDICAMENTS ANTI-INFLAMMATOIRES NON STÉROÏDIENS
  申请人：ALLERGAN INC

  公开号：WO2014138343A1

  公开（公告）日：2014-09-12

  The present invention describes single drug entities, formed by connecting an antibiotic moiety via a linker with a non-steroidal anti-inflammatory drug (NSAID) moiety. Upon topical application to the eye, the conjugate hybrid would undergo enzymatic and/or hydrolytic cleavage to release the individual antibiotic and NSAID drug.