3-[(2S)-1-甲基-2-吡咯烷基]吡啶2-羟基-1,2,3-丙烷三羧酸盐(1:1) | 73086-01-8

• 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
• 中文名称: 3-[(2S)-1-甲基-2-吡咯烷基]吡啶2-羟基-1,2,3-丙烷三羧酸盐(1:1)
• 中文别名: 柠檬酸尼古丁
• 英文名称: (S)-Nicotine citrate
• 英文别名: 2-hydroxypropane-1,2,3-tricarboxylic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
• CAS: 73086-01-8
• 化学式: C16H22N2O7
• 分子量: 354.35
• InChiKey: SDVKWBNZJFWIMO-PPHPATTJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  148
• 氢给体数：
  4
• 氢受体数：
  9

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。
• 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。
• SMOKING ARTICLE
  申请人：Japan Tobacco Inc.

  公开号：EP0691084A1

  公开（公告）日：1996-01-10

  A smoking article (10) contains a flavor component retainer obtained by heating and gelling a mixture of a flavor component and a non-gelled glucan and containing heat-irreversibly gelled glucan, and a flavor generation material containing the flavor component retained by this retainer as a combustion smoking raw material (12). Since the flavor component is firmly fixed and retained inside a three-dimensional network structure of gelled glucan, preservability and emission durability of the flavor component can be improved.

  一种烟制品（10）包含通过加热和胶凝香料成分与非胶凝葡聚糖的混合物而获得的香料成分保持器，其中含有热不可逆胶凝葡聚糖，以及含有被该保持器保持的香料成分的香料生成材料，作为燃烧烟原料（12）。由于香料成分被牢固地固定和保留在胶凝葡聚糖的三维网络结构中，因此可以提高香料成分的保存性和排放耐久性。
• FLAVOR ARTICLE
  申请人：Japan Tobacco Inc.

  公开号：EP0691083A1

  公开（公告）日：1996-01-10

  A flavor article comprising a flavor generation medium and a heating source disposed physically separately from the flavor generation medium, for heating the flavor generation medium to have flavor components emitted from the medium. The flavor generation medium contains a flavor component retainer containing an irreversibly gelled heat-irreversibly solidifiable glucan and a flavor generation material containing the flavor component retained by the retainer and emitting a sufficient quantity of flavor component only on heating.

  一种香料制品，包括一种香料生成介质和一种与香料生成介质在物理上分开放置的加热源，用于加热香料生成介质，使香料成分从介质中散发出来。香料生成介质包含一个香料成分保持器，其中含有不可逆胶化的热不可逆凝固葡聚糖，以及一个香料生成材料，其中含有被保持器保持的香料成分，并且仅在加热时才会释放出足够数量的香料成分。
• Tobacco substitute
  申请人：UNIVERSITY OF UTAH RESEARCH FOUNDATION

  公开号：EP0745380A2

  公开（公告）日：1996-12-04

  The present invention relates generally to a ciagrette substitute for administering a dose of nicotine. More specifically, the present invention is directed to a nicotine-containing dosage-form comprising a holder member which may be used as part of an effective smoking cessation program or in situations where smoking is undesirable or not permitted. The dosage form is configured as a dosage form having a nicotine-containing composition attached to a holder member. Nicotine is released from the dosage form and absorbed through the intra-oral mucosal surfaces as the nicotine-containing composition releases nicotine within a user's mouth. The holder member facilitates insertion and removal of the dosage form into and out of a user's mouth. The user can selectively insert and remove the dosage form as desired to selectively control the release of nicotine. In addition, the user can insert and remove the dosage form in a manner which meets the user's psychological need or desire for ritualistic oral stimulation similar to cigarette smoking.

  本发明总体上涉及一种用于给药尼古丁剂量的咀嚼替代物。更具体地说，本发明涉及一种含有尼古丁的剂型，该剂型包括一个支架部件，可用作有效戒烟计划的一部分，或在不希望或不允许吸烟的情况下使用。该剂型被配置为一种剂型，其含尼古丁的组合物附着在支架部件上。当含尼古丁的组合物在使用者口腔内释放尼古丁时，尼古丁从剂型中释放出来并通过口腔内粘膜表面被吸收。夹持件便于将剂型插入和取出使用者的口腔。使用者可以根据需要选择性地插入和取出剂型，以选择性地控制尼古丁的释放。此外，使用者还可以根据自己的心理需要或愿望，插入和取出药剂，以获得类似于吸烟的口腔刺激。