N-[[(1S,2S,6R,15R,16R)-5-(cyclopropylmethyl)-11-hydroxy-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]methyl]benzenesulfonamide

• 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: N-[[(1S,2S,6R,15R,16R)-5-(cyclopropylmethyl)-11-hydroxy-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]methyl]benzenesulfonamide
• 化学式: C₃₀H₃₆N₂O₅S
• 分子量: 536.7
• InChiKey: DDGBYNUMMVPZEO-GUMBZLRGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  96.5
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• US20140275117A1
  申请人：——

  公开号：US20140275117A1

  公开（公告）日：2014-09-18
• BUPRENORPHINE ANALOGS
  申请人：Purdue Pharma L.P.

  公开号：US20150203504A1

  公开（公告）日：2015-07-23

  The present invention is directed to Buprenorphine Analog compounds of Formula I, II, III, IV or V and including various stereoisomers (such as Formula IA shown below), wherein R 1 , R 3a , R 3b , R 16 , R 15 , G, Q, X, A and Z are as defined herein. Compounds of the Invention may be useful for preparing medicaments useful for treating pain, constipation, and other conditions modulated by activity of opioid and ORL-1 receptors. Compounds of the Invention may be useful for treating Conditions such as pain, constipation, and others modulated by activity of opioid and ORL-1 receptors.
• US8969358B2
  申请人：——

  公开号：US8969358B2

  公开（公告）日：2015-03-03
• US9382260B2
  申请人：——

  公开号：US9382260B2

  公开（公告）日：2016-07-05