2-hydroxy-N,N,N-trimethylethanaminium nicotinate | 49719-80-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-hydroxy-N,N,N-trimethylethanaminium nicotinate
• 英文别名: cholinium nicotinate；nicotinic acid ; choline salt；Nicotinsaeure; Cholin-Salz；2-Hydroxyethyl(trimethyl)azanium;pyridine-3-carboxylate
• CAS: 49719-80-4
• 化学式: C₅H₁₄NO*C₆H₄NO₂
• 分子量: 226.276
• InChiKey: IKFIAJXYZZZOCI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.87
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  73.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  胆碱 生成 2-hydroxy-N,N,N-trimethylethanaminium nicotinate
  参考文献：
  名称：

  Simon, Sb. Statei Obshch. Khim., 1953, p. 672,674

  摘要：

  DOI：

文献信息

• [EN] SALTS OF NICOTINIC ACID AND NICOTINAMIDE AS ANTI-AGING AGENTS<br/>[FR] SELS D'ACIDE NICOTINIQUE ET DE NICOTINAMIDE EN TANT QU'AGENTS ANTI-ÂGE
  申请人：JUMPSTART FERTILITY PTY LTD

  公开号：WO2020028684A1

  公开（公告）日：2020-02-06

  The present invention relates to amino acid salts of nicotinic acid and nicotinamide and compositions thereof of Formula I, useful in the treatment of disorders and diseases associated with deficiencies in NAD+: (I) wherein J, M1, R1, and k are as described herein.

  本发明涉及烟酸和烟酰胺的氨基酸盐及其组合物，其化学式为I，用于治疗与NAD+缺乏相关的疾病和紊乱：（I）其中J、M1、R1和k如本文所述。
• Choline ascorbate formulations
  申请人：Habich Andreas

  公开号：US20060153912A1

  公开（公告）日：2006-07-13

  The invention relates to novel choline ascorbate-containing formulations; processes for their preparation and their use in human or animal foods, or human or animal food supplements or pharmaceuticals.

  本发明涉及含有抗坏血酸胆碱的新型制剂；其制备工艺及其在人类或动物食品、人类或动物食品补充剂或药品中的用途。
• Physicochemical features and toxicity of some vitamin based ionic liquids
  作者：M. Vraneš、A. Tot、S. Papović、D. Četojević-Simin、S. Markov、A. Velićanski、M. Popsavin、S. Gadžurić

  DOI：10.1016/j.molliq.2017.10.015

  日期：2017.12

  A three novel vitamin based ionic liquids, cholinium nicotinate, cholinium biotinate and cholinium ascorbate were synthesized and characterized. For the first time the acidity constant for biotin was determined. Physicochemical properties such as density, electrical conductivity and viscosity were measured and nature of interactions was discussed from the obtained experimental results. Also, toxicity study of these ionic liquids has been performed using,human non-tumor cell line (normal fetal lung fibroblasts, MRC-5) and rat liver hepatoma cell line (H-4-II-E). Antibacterial activity was determined by disc diffusion method on Gram negative bacteria Pseudomonas aeruginosa and Escherichia coli as well on Gram positive bacteria Staphylococcus aureus and Listeria monocytogenes. (C) 2017 Elsevier B.V. All rights reserved.
• STEPAN; KRAL; JURECEK, Pharmazie, 1955, vol. 10, # 12, p. 736 - 739
  作者：STEPAN、KRAL、JURECEK

  DOI：——

  日期：——
• Stepan et al., Chemicke Listy, 1953, vol. 47, p. 223
  作者：Stepan et al.

  DOI：——

  日期：——