bis(2-hydroxyethyl)-ammonium 2-(2,6-dichlorophenylamino)phenylacetate | 80636-44-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: bis(2-hydroxyethyl)-ammonium 2-(2,6-dichlorophenylamino)phenylacetate
• 英文别名: diethanolamine diclofenac salt；N-(2-hydroxyethyl)N-dihydroxyethylammonium 2-(2,6-dichlorophenylamino)phenylacetate；bis(2-hydroxyethyl)azanium;2-[2-(2,6-dichloroanilino)phenyl]acetate
• CAS: 80636-44-8
• 化学式: C₄H₁₁NO₂*C₁₄H₁₁Cl₂NO₂
• 分子量: 401.29
• InChiKey: STBDEMNBPQVWGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.92
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  102
• 氢给体数：
  5
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  双氯芬酸 生成 bis(2-hydroxyethyl)-ammonium 2-(2,6-dichlorophenylamino)phenylacetate
  参考文献：
  名称：

  ECKERT, THEODOR

  摘要：

  DOI：

文献信息

• Storage stable aqueous injectable solution comprising diclofenac
  申请人：CADILA HEALTHCARE LIMITED

  公开号：US11110073B2

  公开（公告）日：2021-09-07

  The present invention relates to a stable, aqueous, injectable solution comprising diclofenac and polyvinylpyrrolidone. The present invention also relates to processes for preparing the injectable solution.

  本发明涉及一种由双氯芬酸和聚乙烯吡咯烷酮组成的稳定的可注射水溶液。本发明还涉及制备注射溶液的工艺。
• ——
  作者：

  DOI：——

  日期：——
• Anti-Inflammatory Drugs. II. Salt of 2-(2,6-Dichlorophenylamino)phenylacetic Acid with Diethanolamine
  作者：C. Castellari、S. Ottani

  DOI：10.1107/s010827019500730x

  日期：1995.12.15

  The structure of the title salt, bis(2-hydroxyethyl)-ammonium 2-(2, 6-dichlorophenylamino)phenylacetate, C4H12NO2+.C14H10Cl2NO2-, has been determined by X-ray diffraction. The asymmetric unit consists of one cation and one anion. The structural unit is best described as a double-ion pair built up around a centrosymmetric pair of cations, which are hydrogen bonded to each other and to the carboxylate O atoms. The crystal consists of stacked layers, each characterized by a network of hydrogen bonds.
• ECKERT, T.
  作者：ECKERT, T.

  DOI：——

  日期：——
• MIRYAN, N. I.;TRINUS, F. P.;DANILENKO, V. S.;FADEICHEVA, A. G.;CHERNOSHTA+
  作者：MIRYAN, N. I.、TRINUS, F. P.、DANILENKO, V. S.、FADEICHEVA, A. G.、CHERNOSHTA+

  DOI：——

  日期：——