1,3,7-三甲基黄嘌呤 | 5743-12-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 中文名称: 1,3,7-三甲基黄嘌呤
• 中文别名: 咖啡因(碱)；一水咖啡因；咖啡因(一水)；咖啡因水合物；1,3,7-三甲基黄嘌呤；甲基可可豆碱；咖啡碱；茶素
• 英文名称: caffeine monohydrate
• 英文别名: caffeine hydrate；Caffein；1,3,7-trimethylpurine-2,6-dione;hydrate
• CAS: 5743-12-4
• 化学式: C₈H₁₀N₄O₂*H₂O
• 分子量: 212.208
• InChiKey: LCHGOKZNRDAXEK-UHFFFAOYSA-N

物化性质

• 稳定性/保质期：

  在常温常压下保持稳定

计算性质

• 辛醇/水分配系数(LogP)：
  -1.85
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• [EN] HYDROXYCITRIC ACID DERIVATIVES AND SKIN EXTERNAL PREPARATIONS CONTAINING THE SAME<br/>[FR] DERIVES D'ACIDE HYDROXYCITRIQUE ET PREPARATIONS EXTERNES POUR LA PEAU LES CONTENANT
  申请人：SHOWA DENKO KK

  公开号：WO2006033476A1

  公开（公告）日：2006-03-30

  Hydroxycitric acid derivatives and salts thereof are provided which are useful as active ingredients of skin external preparations and cosmetics. Also provided are processes for production of the hydroxycitric acid derivatives, and skin external preparations and cosmetics containing the hydroxycitric acid derivatives. Specific hydroxycitric acid derivatives or salts thereof are produced wherein at least one of the hydroxyl groups of hydroxycitric acid, or least one of the hydroxyl groups and at least one carboxyl group of hydroxycitric acid are modified to linkage moieties breakable by biological enzyme reaction. The hydroxycitric acid derivatives or salts thereof are added in skin external preparations and cosmetics.

  提供了羟基柠檬酸衍生物及其盐，可用作皮肤外用制剂和化妆品的活性成分。还提供了生产羟基柠檬酸衍生物的方法，以及含有羟基柠檬酸衍生物的皮肤外用制剂和化妆品。生产特定羟基柠檬酸衍生物或其盐，其中羟基柠檬酸的至少一个羟基或至少一个羟基和至少一个羧基被修饰为可被生物酶反应断裂的连接基团。将羟基柠檬酸衍生物或其盐添加到皮肤外用制剂和化妆品中。
• NON-HYGROSCOPIC SALTS OF 5-HT2C AGONISTS
  申请人：Blackburn Anthony C.

  公开号：US20130317005A1

  公开（公告）日：2013-11-28

  Salts of the 5-HT2C-receptor agonist (R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, and dosage forms comprising them that are useful for, inter alia, weight management.

  5-HT2C受体激动剂(R)-8-氯-1-甲基-2,3,4,5-四氢-1H-3-苯并噻吩的盐，以及包含它们的剂型，可用于体重管理等方面。
• Stabilized solid pharmaceutical preparation containing dextromethorphan, phenylpropanolamine and caffeine
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0631782A1

  公开（公告）日：1995-01-04

  To stabilize the active ingredients, a caffeine is incorporated into a solid pharmaceutical preparation comprising a dextromethorphan and a phenylpropanolamine. The pharmaceutical preparation may further comprise ibuprofen. The active ingredients may be further stabilized, in combination with the incorporation of the caffeine, by grouping and incorporating separately each or suitably combined plural of the active ingredients into different groups or by minimizing the amount of any reducing sugar such as lactose. The solid pharmaceutical preparation is practically valuable since decomposition of each active ingredient with the lapse of time is remarkably suppressed and the active ingredients are stabilized for a longer period of time.

  为了稳定活性成分，咖啡因被加入到由右美沙芬和苯丙醇胺组成的固体药物制剂中。药物制剂还可进一步包含布洛芬。在掺入咖啡因的同时，还可通过将每种或适当组合的多种活性成分分别分组并掺入不同的组中，或通过尽量减少任何还原糖（如乳糖）的用量，来进一步稳定活性成分。这种固体药物制剂具有很高的实用价值，因为每种有效成分随着时间的推移而分解的现象明显减少，有效成分的稳定时间也更长。
• Pharmaceutical compositions comprising paracetamol and L-Cysteine or a precursor thereof
  申请人：BTG INTERNATIONAL LIMITED

  公开号：EP1210939A2

  公开（公告）日：2002-06-05

  An improved process for the production of a pharmaceutical composition comprising p-hydroxyacetanilide and L-cysteine or a compound which is converted thereto in vivo comprises mixing p-hydroxyacetanilide and L-cysteine or its precursor in the solid state and then shaping the solid mixture.

  一种用于生产包含对羟基乙酰苯胺和 L-半胱氨酸或在体内可转化为对羟基乙酰苯胺和 L-半胱氨酸的化合物的药物组合物的改进工艺，包括在固态下混合对羟基乙酰苯胺和 L-半胱氨酸或其前体，然后使固体混合物成型。
• BREAKABLE, CONTROLLED RELEASE DEVICE COMPRISING A PREFORMED PASSAGE
  申请人：Osmotica Corp.

  公开号：EP1629835A2

  公开（公告）日：2006-03-01

  The present invention provides a simple and improved osmotic device that is capable of providing a controlled release of active agent contained in the core first through a preformed passageway and then through an in situ formed second passageway into an environment of use. One or both of the passageways optionally increases in size during use of the osmotic device. The preformed passageway and/or the second passageway increase the release rate of the active agent, enable the release of large particles containing active agent, and/or enable the release of active agents that are substantially insoluble in the environment of use. By virtue of the in situ formation of the second aperture, the device is able to release a greater overall percentage of active agent than it would release in absence of the second aperture.

  本发明提供了一种简单而改进的渗透装置，它能够首先通过一个预制通道，然后通过一个原位形成的第二通道，向使用环境中提供包含在芯中的活性剂的受控释放。在渗透装置的使用过程中，可以选择增大其中一个或两个通道的尺寸。预制通道和/或第二通道可提高活性剂的释放率，使含有活性剂的大颗粒得以释放，和/或使在使用环境中基本不溶解的活性剂得以释放。由于在原位形成了第二孔道，与没有第二孔道时相比，该装置能够释放出更大比例的活性剂。