脱氧文拉法辛 | 1076199-92-2

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 脱氧文拉法辛
• 中文别名: 盐酸文拉法辛杂质G
• 英文名称: 2-cyclohexyl-2-(4-methoxyphenyl)-N,N-dimethylethanamine
• 英文别名: 2-Cyclohexyl-2-(4-methoxyphenyl)-N,N-dimethylethylamine
• CAS: 1076199-92-2
• 化学式: C₁₇H₂₇NO
• 分子量: 261.407
• InChiKey: RELISZWQPGCXDE-UHFFFAOYSA-N

物化性质

• 沸点：
  361.3±35.0 °C(Predicted)
• 密度：
  0.981±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（轻微）、己烷（轻微）、甲醇（轻微）

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-(1-环己烯-1-基)-2-(4-甲氧基苯基)-N,N-二甲基乙胺 在 5% Pd(II)/C(eggshell) 、 氢气 作用下， 以 甲醇 为溶剂， 40.0~45.0 ℃ 、294.2 kPa 条件下， 反应 3.0h， 以92%的产率得到脱氧文拉法辛
  参考文献：
  名称：

  Impurity Profile Study of Venlafaxine Hydrochloride, an Antipsychotic Drug Substance

  摘要：

  Venlafaxine hydrochloride is a phenyl ethylamine derivative, used for the treatment of depression. During the process development of venlafaxine hydrochloride, six process-related potential impurities were detected in high-performance liquid chromatography. All these impurities were identified, synthesized, and subsequently characterized by their respective spectral data (IR, mass, 1H NMR, and 13C NMR) as described in this article.

  DOI：

  10.1080/00397910903162767

文献信息

• Prodrugs of antidepressants and their use for treating depressions
  申请人：——

  公开号：US20040242594A1

  公开（公告）日：2004-12-02

  This invention relates to prodrugs of antidepressants and the use of these prodrugs in a method for therapy and to pharmaceutical compositions comprising the prodrugs of the invention.

  本发明涉及抗抑郁药的前药及其在治疗方法中的使用，以及包含本发明的前药的制药组合物。
• PRODRUGS OF ANTIDEPRESSANTS AND THEIR USE FOR TREATING DEPRESSIONS
  申请人：NeuroSearch A/S

  公开号：EP1448512A1

  公开（公告）日：2004-08-25
• [EN] PRODRUGS OF ANTIDEPRESSANTS AND THEIR USE FOR TREATING DEPRESSIONS<br/>[FR] PROMEDICAMENTS D'ANTIDEPRESSEURS ET UTILISATION ASSOCIEE DANS LE TRAITEMENT DE LA DEPRESSION
  申请人：NEUROSEARCH AS

  公开号：WO2003042162A1

  公开（公告）日：2003-05-22

  This invention relates to prodrugs of antidepressants and the use of these prodrugs in a method for therapy and to pharmaceutical compositions comprising the prodrugs of the invention.
• Impurity Profile Study of Venlafaxine Hydrochloride, an Antipsychotic Drug Substance
  作者：Mohanarangam Saravanan、Karra Suresh Kumar、Padi Pratap Reddy、Bollikonda Satyanarayana

  DOI：10.1080/00397910903162767

  日期：2010.6.16

  Venlafaxine hydrochloride is a phenyl ethylamine derivative, used for the treatment of depression. During the process development of venlafaxine hydrochloride, six process-related potential impurities were detected in high-performance liquid chromatography. All these impurities were identified, synthesized, and subsequently characterized by their respective spectral data (IR, mass, 1H NMR, and 13C NMR) as described in this article.