nicotine malate

• 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: nicotine malate
• 英文别名: 2-hydroxybutanedioic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
• 化学式: C₄H₆O₅*C₁₀H₁₄N₂
• 分子量: 296.323
• InChiKey: OEOMLCRMCASNOR-PPHPATTJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.75
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  111
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  苹果酸 、 烟碱 以 乙醇 为溶剂， 反应 5.0h， 生成 nicotine malate
  参考文献：
  名称：

  一种烟碱-苹果酸复合晶体及其制备方法与应用

  摘要：

  本发明涉及一种烟碱‑苹果酸复合晶体及其制备方法与应用，属于烟草化学技术领域。所述的复合晶体由一个二价加氢的烟碱阳离子和一个二价苹果酸离子组成，其化学计量式为C14H20N2O5，晶胞参数为：正交晶系，P212121空间群，a=7.6293(16)Å，b=8.1604(12)Å，c=24.030(4)Å，α=β=γ=90.00°。该烟碱‑苹果酸复合晶体的制备方法是通过成盐的方式，将烟碱固态化，形成一种新型烟碱添加形式，能应用于新型烟草制品的配方设计、质量控制研究中，易于推广应用。

  公开号：

  CN110590741A

文献信息

• [EN] NICOTINE SALTS, CO-CRYSTALS, AND SALT CO-CRYSTAL COMPLEXES<br/>[FR] SELS, CO-CRISTAUX, ET COMPLEXES DE CO-CRISTAUX DE SELS DE NICOTINE
  申请人：REYNOLDS TOBACCO CO R

  公开号：WO2015183801A1

  公开（公告）日：2015-12-03

  The invention provides certain nicotine salts, co-crystals, and salt co-crystals and provides novel polymorphic forms of certain nicotine salts. In particular, nicotine salts with mucic acid, 3,5-dihydroxybenzoic acid, and 2,3-dihydroxybenzoic acid, and crystalline polymorphic forms of nicotine 4-acetamidobenzoate, nicotine gentisate, and nicotine 1-hydroxy-2-naphthoate are described. The invention further provides methods of preparation and characterization of such nicotine salts, co-crystals, and salt co-crystals and polymorphic forms thereof. In addition, tobacco products, including smoking articles, smokeless tobacco products, and electronic smoking articles comprising nicotine salts, co-crystals, and/or salt co-crystals are also provided.

  该发明提供了某些尼古丁盐、共晶和盐共晶，并提供了某些尼古丁盐的新颖多形态形式。具体来说，描述了与粘酸、3,5-二羟基苯甲酸和2,3-二羟基苯甲酸结合的尼古丁盐，以及尼古丁4-乙酰氨基苯甲酸、尼古丁吉替酸和尼古丁1-羟基-2-萘酸的结晶多形态形式。该发明还提供了制备和表征这些尼古丁盐、共晶和盐共晶以及其多形态形式的方法。此外，还提供了含有尼古丁盐、共晶和/或盐共晶的烟草制品，包括吸烟物品、无烟烟草制品和电子吸烟物品。
• 一种烟碱-苹果酸复合晶体及其制备方法与应用
  申请人：云南中烟工业有限责任公司

  公开号：CN110590741A

  公开（公告）日：2019-12-20

  本发明涉及一种烟碱‑苹果酸复合晶体及其制备方法与应用，属于烟草化学技术领域。所述的复合晶体由一个二价加氢的烟碱阳离子和一个二价苹果酸离子组成，其化学计量式为C14H20N2O5，晶胞参数为：正交晶系，P212121空间群，a=7.6293(16)Å，b=8.1604(12)Å，c=24.030(4)Å，α=β=γ=90.00°。该烟碱‑苹果酸复合晶体的制备方法是通过成盐的方式，将烟碱固态化，形成一种新型烟碱添加形式，能应用于新型烟草制品的配方设计、质量控制研究中，易于推广应用。
• NICOTINE SALTS, CO-CRYSTALS, AND SALT CO-CRYSTAL COMPLEXES
  申请人：R.J. Reynolds Tobacco Company

  公开号：US20150344456A1

  公开（公告）日：2015-12-03

  The invention provides certain nicotine salts, co-crystals, and salt co-crystals and provides novel polymorphic forms of certain nicotine salts. In particular, nicotine salts with mucic acid, 3,5-dihydroxybenzoic acid, and 2,3-dihydroxybenzoic acid, and crystalline polymorphic forms of nicotine 4-acetamidobenzoate, nicotine gentisate, and nicotine 1-hydroxy-2-naphthoate are described. The invention further provides methods of preparation and characterization of such nicotine salts, co-crystals, and salt co-crystals and polymorphic forms thereof. In addition, tobacco products, including smoking articles, smokeless tobacco products, and electronic smoking articles comprising nicotine salts, co-crystals, and/or salt co-crystals are also provided.

  本发明提供了某些尼古丁盐、共晶、盐共晶，并提供了某些尼古丁盐的新型多晶形式。具体而言，本发明描述了与粘酸、3,5-二羟基苯甲酸和2,3-二羟基苯甲酸共晶的尼古丁盐，以及尼古丁4-乙酰氨基苯甲酸盐、尼古丁吉替酸盐和尼古丁1-羟基-2-萘酸晶体多晶形式。本发明进一步提供了制备和表征这种尼古丁盐、共晶和盐共晶及其多晶形式的方法。此外，本发明还提供了含有尼古丁盐、共晶和/或盐共晶的烟草产品，包括吸烟物品、无烟烟草产品和电子吸烟物品。
• EXCIPIENTS FOR NICOTINE-CONTAINING THERAPEUTIC COMPOSITIONS
  申请人：Modoral Brands Inc.

  公开号：EP3744313A1

  公开（公告）日：2020-12-02

  A composition intended to be employed for therapeutic purposes incorporates an active ingredient (e.g., a source of nicotine) and at a non-active ingredient that is carried by a porous substrate. The non-active ingredient can be a substance that has the capability of affecting the pH of the biological system to which it is applied (e.g., basic substance and/or buffering agent is sorbed onto the porous carrier, so as to be in intimate contact with that carrier). Representative forms of nicotine include free base (e.g., as a mixture of nicotine and microcrystalline cellulose), a nicotine salt (e.g., as nicotine bitartrate) and nicotine polacrilex. The basic substance can be sodium carbonate, and the porous substrate can be microcrystalline cellulose. The composition is useful for treatment of central nervous system conditions, diseases, and disorders, and can be used as a nicotine replacement therapy.

  一种用于治疗目的的组合物包含一种活性成分（如尼古丁源）和一种由多孔基质承载的非活性成分。非活性成分可以是一种能够影响生物系统 pH 值的物质（例如，碱性物质和/或缓冲剂被吸附在多孔载体上，从而与载体紧密接触）。具有代表性的尼古丁形式包括游离碱（如尼古丁和微晶纤维素的混合物）、尼古丁盐（如酒石酸尼古丁）和多糖尼古丁。基本物质可以是碳酸钠，多孔基质可以是微晶纤维素。该组合物可用于治疗中枢神经系统病症、疾病和失调，并可用作尼古丁替代疗法。
• SMOKING SUBSTITUTE SYSTEM
  申请人：NERUDIA LIMITED

  公开号：EP3811789A1

  公开（公告）日：2021-04-28

  A consumable for a smoking substitute device contains a liquid aerosol-forming substrate, wherein the substrate comprises an infusion of solid tobacco-derived material in aerosol-former solution, and the infusion is combined with a nicotine formulation. The nicotine formulation may comprise a nicotine salt, particularly nicotine lactate. The substrate is obtained by macerating solid tobacco-derived material in aerosol-former liquid to form an infusion of solid tobacco-derived material and combining the infusion with a nicotine formulation. The tobacco-derived solids are macerated for a time period sufficient for the infusion to undergo a required change in physical characteristics (such as colour or viscosity) or a required change in chemical characteristics (such as amount of nicotine release). Tobacco-derived solid may be visible in the substrate as an indicator that it is not a pharmaceutical product.

  一种用于替代吸烟装置的消耗品含有液体气溶胶形成基质，其中基质包括气溶胶形成剂溶液中的固体烟草衍生材料注入液，注入液与尼古丁制剂结合。尼古丁制剂可包括尼古丁盐，特别是乳酸尼古丁。将固体烟草提取物浸泡在气溶胶剂液体中，形成固体烟草提取物浸泡液，并将浸泡液与尼古丁制剂混合，即可获得基质。烟草衍生固体浸渍的时间足以使注入液发生所需的物理特性变化（如颜色或粘度）或所需的化学特性变化（如尼古丁释放量）。在基质中可以看到烟草提取的固体，表明它不是药品。