levonorgestrel heptanoate | 71826-76-1

• 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
• 英文名称: levonorgestrel heptanoate
• CAS: 71826-76-1
• 化学式: C₂₈H₄₀O₃
• 分子量: 424.624
• InChiKey: ISVNBVZBDURNCD-GBQMVUELSA-N

物化性质

• 沸点：
  527.2±50.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  31.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  庚酸酐 、 左炔诺孕酮 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 levonorgestrel heptanoate
  参考文献：
  名称：

  Long-acting contraceptive agents: Design of the who chemical synthesis programme

  摘要：

  The great demand for improved long-acting injectable steroid contraceptives, particularly in developing countries, and the relative lack of interest from the pharmaceutical industry to develop such products stimulated WHO to launch a synthetic and screening programme to find improved, safe and acceptable injectable preparations. More than 210 esters of norethisterone (17 alpha-ethynyl-17 beta-hydroxyestr-4-en-3-one) and levonorgestrel (D-(-)-13 beta-ethyl-17 alpha-ethynyl-17 beta-hydroxygon-4-en-3-one) have been prepared in university-based research laboratories situated mainly in developing countries, and then screened by NICHHD in animal models. The following three compounds, levonorgestrel butanoate, cyclopropylcarboxylate and cyclobutylcarboxylate, proved to be particularly long-acting when administered as microcrystalline suspensions. The overall strategy of this research and development programme is described.

  DOI：

  10.1016/0039-128x(83)90095-8

文献信息

• [EN] MONOMERIC AND OLIGOMERIC COMPOUND EMBODIMENTS AS CONTRACEPTIVES AND THERAPIES AND METHODS OF MAKING AND USING THE SAME<br/>[FR] MODES DE RÉALISATION DE COMPOSÉS MONOMÈRES ET OLIGOMÈRES EN TANT QUE CONTRACEPTIFS ET THÉRAPIES ET PROCÉDÉS DE FABRICATION ET D'UTILISATION ASSOCIÉS
  申请人：US HEALTH

  公开号：WO2021252761A3

  公开（公告）日：2022-02-10
• Long-acting contraceptive agents: Design of the who chemical synthesis programme
  作者：Pierre Crabbé、Sydney Archer、Giuseppe Benagiano、Egon Diczfalusy、Carl Djerassi、Josef Fried、Takeru Higuchi

  DOI：10.1016/0039-128x(83)90095-8

  日期：1983.3

  The great demand for improved long-acting injectable steroid contraceptives, particularly in developing countries, and the relative lack of interest from the pharmaceutical industry to develop such products stimulated WHO to launch a synthetic and screening programme to find improved, safe and acceptable injectable preparations. More than 210 esters of norethisterone (17 alpha-ethynyl-17 beta-hydroxyestr-4-en-3-one) and levonorgestrel (D-(-)-13 beta-ethyl-17 alpha-ethynyl-17 beta-hydroxygon-4-en-3-one) have been prepared in university-based research laboratories situated mainly in developing countries, and then screened by NICHHD in animal models. The following three compounds, levonorgestrel butanoate, cyclopropylcarboxylate and cyclobutylcarboxylate, proved to be particularly long-acting when administered as microcrystalline suspensions. The overall strategy of this research and development programme is described.