alpha-环己基-alpha-羟基苯乙酸4-(乙基氨基)-2-丁炔基酯盐酸盐 | 81039-77-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: alpha-环己基-alpha-羟基苯乙酸4-(乙基氨基)-2-丁炔基酯盐酸盐
• 英文名称: rac Desethyl Oxybutynin-d5 Hydrochloride
• 英文别名: 4-(ethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride
• CAS: 81039-77-2
• 化学式: C20H28ClNO3
• mdl: MFCD02682895
• 分子量: 365.9
• InChiKey: DSWCYTSHCYXHGW-UHFFFAOYSA-N

物化性质

• 熔点：
  136-138°C
• 溶解度：
  可溶于氯仿（少许）、二甲基亚砜、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  58.6
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• Compositions and methods for unoccluded transdermal oxybutynin therapy
  申请人：Allergan Sales, LLC

  公开号：US10272061B2

  公开（公告）日：2019-04-30

  The present invention provides compositions and methods for administering oxybutynin while minimizing the incidence and/or severity of adverse drug experiences associated with oxybutynin therapy. In one aspect, these compositions and methods provide a lower plasma concentration of oxybutynin metabolites, such as N-desethyloxybutynin, which is presumed to be contributing at least in part to some of the adverse drug experiences, while maintaining sufficient oxybutynin plasma concentration to benefit a subject with oxybutynin therapy. The invention also provides isomers of oxybutynin and its metabolites that meet these characteristics of minimized incidence and/or severity of adverse drug experiences, and maintenance of beneficial and effective therapy for overactive bladder. In some aspects, the composition may be presented in the form of an unoccluded or free form topically administered gel.

  本发明提供了施用奥昔布宁的组合物和方法，同时将与奥昔布宁治疗相关的药物不良反应的发生率和/或严重程度降至最低。在一个方面，这些组合物和方法提供了较低的奥昔布宁代谢物血浆浓度，如N-去乙酰氧基奥昔布宁，据推测其至少部分导致了一些药物不良反应，同时保持足够的奥昔布宁血浆浓度，使接受奥昔布宁治疗的受试者获益。本发明还提供了奥昔布宁及其代谢物的异构体，这些异构体符合将药物不良反应的发生率和/或严重程度降至最低，以及维持对膀胱过度活动症有益和有效治疗的这些特征。在某些方面，本发明的组合物可以未包封或游离形式的局部给药凝胶形式呈现。
• TREATING URINARY INCONTINENCE USING (S)-OXYBUTYNIN AND (S)-DESETHYLOXYBUTYNIN
  申请人：SEPRACOR, INC.

  公开号：EP0806948A1

  公开（公告）日：1997-11-19
• COMPOSITIONS AND METHODS FOR TRANSDERMAL OXYBUTYNIN THERAPY
  申请人：Allergan Sales, LLC

  公开号：US20170095438A1

  公开（公告）日：2017-04-06

  The present invention provides compositions and methods for administering oxybutynin while minimizing the incidence and or severity of adverse drug experiences associated with oxybutynin therapy. In one aspect, these compositions and methods provide a lower plasma concentration of oxybutynin metabolites, such as N-desethyloxybutynin, which is presumed to be contributing at least in part to some of the adverse drug experiences, while maintaining sufficient oxybutynin plasma concentration to benefit a subject with oxybutynin therapy. The invention also provides isomers of oxybutynin and its metabolites that meet these characteristics of minimized incidence and/or severity of adverse drug experiences, and maintenance of beneficial and effective therapy for overactive bladder. In some aspects, the composition may be presented in the form of an unoccluded or free form topically administered gel.
• US5677346A
  申请人：——

  公开号：US5677346A

  公开（公告）日：1997-10-14
• [EN] TREATING URINARY INCONTINENCE USING (S)-OXYBUTYNIN AND (S)-DESETHYLOXYBUTYNIN<br/>[FR] TRAITEMENT DE L'INCONTINENCE URINAIRE PAR LA (S)-OXYBUTYNINE ET LA (S)-DESETHYLOXYBUTYNINE
  申请人：SEPRACOR, INC.

  公开号：WO1996023492A1

  公开（公告）日：1996-08-08

  (EN) A method for treating urinary incontinence while avoiding concomitant liability of adverse effects associated with racemic oxybutynin is disclosed. The method comprises administering a therapeutically effective amount of (S)-oxybutynin, (S)-desethyloxybutynin or a pharmaceutically acceptable salt thereof, substantially free of the corresponding R enantiomer. Pharmaceutical compositions in the form of tablets and transdermal devices comprising (S)-oxybutynin or (S)-desethyloxybutynin and an acceptable carrier are also disclosed, as is a synthesis of desethyloxybutynin.(FR) L'invention décrit un procédé pour traiter l'incontinence urinaire en évitant le risque concomitant d'effets indésirables associés à l'oxybutynine racémique. Ledit procédé consiste à administrer une quantité thérapeutiquement efficace de (S)-oxybutynine, de (S)-déséthyloxybutynine ou d'un sel pharmaceutiquement acceptable de celles-ci, pratiquement exempte de l'énantiomère R correspondant. L'invention décrit également des compositions pharmaceutiques sous forme de comprimés et de dispositifs transdermiques contenant de la (S)-oxybutynine ou de la (S)-déséthyloxybutynine, ainsi qu'un excipient acceptable tel qu'une synthèse de déséthyloxybutynine.