(4R,4aS,6S,7R,7aR,12bS)-6-((benzyloxy)methyl)-7-methoxy-3-methyl-1,2,3,4,5 ,6,7,7a-octahydro-4a,7-ethano-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: (4R,4aS,6S,7R,7aR,12bS)-6-((benzyloxy)methyl)-7-methoxy-3-methyl-1,2,3,4,5 ,6,7,7a-octahydro-4a,7-ethano-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol
• 英文别名: (1S,2S,6R,14R,15R,16S)-15-methoxy-5-methyl-16-(phenylmethoxymethyl)-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
• 化学式: C₂₈H₃₃NO₄
• 分子量: 447.574
• InChiKey: LVCBSQDKIDIICL-FRBYVXPPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• 7-BETA ANALOGS OF ORVINOLS
  申请人：Purdue Pharma L.P.

  公开号：EP3089982A2

  公开（公告）日：2016-11-09
• [EN] 7-BETA ANALOGS OF ORVINOLS<br/>[FR] ANALOGUES 7-BÊTA D'ORVINOLS
  申请人：PURDUE PHARMA LP

  公开号：WO2015100092A2

  公开（公告）日：2015-07-02

  The application is directed to compounds of Formula I (I) and pharmaceutically acceptable salts and solvates thereof, wherein R1, R1a, R1b, X, Y, Z, G, Q, W1 and W2 are defined as set forth in the specification. The invention is also directed to use of the compounds of Formula I and the pharmaceutically acceptable salts and solvates thereof to treat disorders responsive to the modulation of one or more opioid receptors, or as synthetic intermediates. Certain compounds of the present invention are especially useful for treating pain.