ethyl 1-methyl-2-[[4-[(E)-N'-octa-1,3,5,7-tetraynoxycarbonylcarbamimidoyl]anilino]methyl]benzimidazole-5-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: ethyl 1-methyl-2-[[4-[(E)-N'-octa-1,3,5,7-tetraynoxycarbonylcarbamimidoyl]anilino]methyl]benzimidazole-5-carboxylate
• 化学式: C₂₈H₂₁N₅O₄
• 分子量: 491.5
• InChiKey: LJZVNQBCBLNMBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  37
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• [EN] PROCESS FOR THE PREPARATION OF DABIGATRAN ETEXILATE AND INTERMEDIATES THEREOF<br/>[FR] PROCÉDÉ DE PRÉPARATION D'ÉTÉXILATE DE DABIGATRAN ET SES INTERMÉDIAIRES
  申请人：GLENMARK PHARMACEUTICALS LTD GLENMARK GENERICS LTD

  公开号：WO2014041559A2

  公开（公告）日：2014-03-20

  The present invention provides a process for the preparation of dabigatran etexilate, a compound of Formula I or a salt thereof, in a purity of at least 99.0% and wherein the level of compound of formula X and XV is less than 0.15% w/w relative to the amount of dabigatran etexilate, a compound of Formula I or salt thereof, as determined by HPLC comprising; (a) subjecting a crude compound of formula I to treatment with alkyl acetate and ketone to form a mixture; (b) optionally heating the mixture; and (c) isolating the compound of Formula I.