雌二醇-17 beta-癸酸酯 | 61748-93-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 中文名称: 雌二醇-17 beta-癸酸酯
• 中文别名: 雌二醇-17beta-癸酸酯
• 英文名称: estradiol 17-decanoate
• 英文别名: estradiol-17-decanoate；17β-decanoyloxy-estratrien-(1.3.5(10))-ol-(3)；(8R)-3-Hydroxy-17c-decanoyloxy-13c-methyl-(8rH.9tH.14tH)-7.8.9.11.12.13.14.15.16.17-decahydro-6H-cyclopenta[a]phenanthren；Decansaeure-[3-hydroxy-oestratrien-(1.3.5(10))-yl-(17β)-ester]；17β-Decanoyloxy-oestratrien-(1.3.5(10))-ol-(3)；17β-Decanoyloxy-oestratrien-(A)-ol-(3)；Estradiol-17beta-decanoate；[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] decanoate
• CAS: 61748-93-4
• 化学式: C₂₈H₄₂O₃
• 分子量: 426.64
• InChiKey: YYFQNZXJGOTFRX-VMBLQBCYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  丹酰氯 、 雌二醇-17 beta-癸酸酯 在 碳酸氢钠 、 sodium hydroxide 作用下， 反应 0.17h， 生成
  参考文献：
  名称：

  通过多反应监测和前体离子扫描模式中的丹磺酰化和液相色谱/串联质谱分析，改进牛毛中雌二醇酯的监测。

  摘要：

  理由：由于雌激素衍生物等内源性化合物有可能被用作生长促进剂，因此在欧盟，控制牛的同化代谢行为已成为一项挑战。由于很难为内源性类固醇建立参考阈值，因此直接检测头发中的类固醇酯是检测牛中“天然”类固醇滥用的有效策略。方法本研究旨在根据当前的欧洲标准开发和验证一种特定的液相色谱/串联质谱（LC / MS / MS）分析策略，以监测牛毛中的雌激素酯。丹磺酰化后通过阳离子电喷雾电离（ESI +）进行分析。然后评估了两种采集模式：单反应监测和前体离子扫描。结果结果表明，采用丹磺酰化步骤可大大提高LC /（ESI +）-MS / MS检测雌二醇17-酯的灵敏度。优化后，CCα值在1-10 ng g（-1）范围内，但癸酸酯化的癸酸酯除外，因为衍生化效率不高。此外，这种LC / MS / MS方法可以进行前体离子扫描，以筛选头发样品中这些雌二醇17-酯的存在。结论基于特定的产物离子，即天然条件下的m / z

  DOI：

  10.1002/rcm.6160
• 作为产物：
  描述：

  3.17β-didecanoyloxy-estratriene-(1.3.5(10)) 在 甲醇 、 potassium carbonate 作用下， 生成 雌二醇-17 beta-癸酸酯
  参考文献：
  名称：

  Versagensmechanismen zur Kollapsanalyse axial gedrückter Aluminiumschaum-gefüllter Profile

  摘要：

  DOI：

  10.1002/1521-4052(200006)31:6<459::aid-mawe459>3.0.co;2-4

文献信息

• Transdermal dosage form comprising an active agent and a salt and free-base form of an adverse agent
  申请人：——

  公开号：US20040126323A1

  公开（公告）日：2004-07-01

  This invention relates to a tamper-resistant transdermal dosage form comprising an active agent, such as an opioid, or a pharmaceutically acceptable salt thereof, a free base of an adverse agent, such as an opioid antagonist, and a pharmaceutically acceptable salt of an adverse agent, such as an opioid antagonist. The transdermal dosage form allows an effective amount of the active agent, or a pharmaceutically acceptable salt thereof, to be transdermally administered to an animal. The invention further relates to methods for treating or preventing pain in an animal comprising contacting the skin of an animal in need thereof with the transdermal dosage form of the invention for an amount of time sufficient to treat or prevent pain.

  本发明涉及一种防篡改的经皮剂量形式，包括活性剂，例如阿片类药物或其药学上可接受的盐，不良剂的自由碱基，例如阿片类拮抗剂，以及不良剂的药学上可接受的盐，例如阿片类拮抗剂。经皮剂量形式允许有效量的活性剂或其药学上可接受的盐经皮途径给动物进行治疗。本发明还涉及一种治疗或预防动物疼痛的方法，包括将本发明的经皮剂量形式与需要治疗或预防疼痛的动物的皮肤接触一定时间以进行治疗或预防疼痛。
• Tamper resistant transdermal dosage form
  申请人：Howard A. Stephen

  公开号：US20060198881A1

  公开（公告）日：2006-09-07

  The invention comprises a transdermal dosage form comprising an active agent component comprising an active agent and an adverse agent component comprising an adverse agent, wherein the active agent component defines at least one channel extending substantially there through.

  该发明涉及一种经皮给药剂型，包括一个活性成分组分和一个不良反应成分组分，其中，活性成分组分定义至少一个延伸穿过其的通道。
• TRANSDERMAL DOSAGE FORM COMPRISING AN ACTIVE AGENT AND A SALT AND A FREE-BASE FORM OF AN ADVERSE AGENT
  申请人：Shevchuk Ihor

  公开号：US20080020028A1

  公开（公告）日：2008-01-24

  This invention relates to a tamper-resistant transdermal dosage form comprising an active agent, such as an opioid, or a pharmaceutically acceptable salt thereof, a free base of an adverse agent, such as an opioid antagonist, and a pharmaceutically acceptable salt of an adverse agent, such as an opioid antagonist. The transdermal dosage form allows an effective amount of the active agent, or a pharmaceutically acceptable salt thereof, to be transdermally administered to an animal. The invention further relates to methods for treating or preventing pain in an animal comprising contacting the skin of an animal in need thereof with the transdermal dosage form of the invention for an amount of time sufficient to treat or prevent pain.

  本发明涉及一种防篡改的经皮剂量形式，包括一种活性剂，如阿片类药物或其药学上可接受的盐，一种不良剂的自由碱，如阿片类拮抗剂，以及一种不良剂的药学上可接受的盐，如阿片类拮抗剂。该经皮剂量形式允许有效量的活性剂或其药学上可接受的盐经皮途径给动物进行治疗。本发明还涉及一种用于治疗或预防动物疼痛的方法，包括将本发明的经皮剂量形式与需要治疗或预防疼痛的动物的皮肤接触一段足够时间以治疗或预防疼痛。
• Disposal systems of transdermal delivery devices to prevent misuse of the active agents contained therein
  申请人：EURO-CELTIQUE S.A.

  公开号：EP1837023A1

  公开（公告）日：2007-09-26

  The present invention relates to a transdermal delivery device disposal system for disposing of a transdermal delivery device containing at least one pharmaceutically active component. The disposal system contains at least one sheet or substrate on which an adhesive is coated; and one or more of the following components: (a) monomer, and optionally comonomer(s), to be polymerized; (b) an initiator, and optionally co-initiator(s), to initiate the polymerization; (c) at least one crosslinking agent to crosslink the (co)polymer; and (d) at least one deactivating agent to chemically alter, to degrade, and/or to deactivate the active component(s) contained in the transdermal delivery device, such as an opioid antagonist or an opioid agonist deactivating agent so that the euphoric effects of the active component(s) contained in the transdermal delivery device are at least temporarily inhibited, diminished, or halted in vivo, wherein at least one adhesive-coated sheet or substrate adheres to, immobilizes, or isolates, and prevents, inhibits, or diminishes the misuse or abuse of the active component contained in, at least one transdermal delivery device.

  本发明涉及一种透皮给药装置处置系统，用于处置含有至少一种药物活性成分的透皮给药装置。该处理系统包含至少一种涂有粘合剂的薄片或基材；以及一种或多种以下成分：(a) 用于聚合的单体和可选的共聚单体； (b) 用于引发聚合的引发剂和可选的共引发剂； (c) 用于交联（共）聚合物的至少一种交联剂；(d) 至少一种失活剂，用于化学改变、降解和/或失活透皮给药装置中所含的活性成分，例如阿片拮抗剂或阿片激动剂失活剂，从而至少暂时抑制透皮给药装置中所含活性成分的兴奋效应、其中，至少一种涂有粘合剂的薄片或基质可粘附、固定或隔离至少一种透皮给药装置，并防止、抑制或减少对其中所含活性成分的误用或滥用。
• Transdermal dosage form comprising an active agent component and an adverse agent component at the distal site of the active agent layer and one fluid communication between the surface of the active agent and the adverse agent
  申请人：Purdue Pharma L.P.

  公开号：EP2316440A1

  公开（公告）日：2011-05-04

  The invention comprises a transdermal dosage form comprising an active agent component comprising an active agent and an adverse agent component comprising an adverse agent, wherein the active agent component defines at least one channel extending substantially there through.

  本发明包括一种透皮剂型，该剂型由包含活性剂的活性剂成分和包含不良反应剂的不良反应剂成分组成，其中活性剂成分限定了至少一个基本贯穿的通道。