(1R,2S,6R,14R,15S)-5-(cyclopropylmethyl)-19-(2-hydroxypropan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 吗啡烷
• 英文名称: (1R,2S,6R,14R,15S)-5-(cyclopropylmethyl)-19-(2-hydroxypropan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol
• 化学式: C₂₆H₃₃NO₄
• 分子量: 423.5
• InChiKey: VSKIOMHXEUHYSI-FRIVEVHGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  62.2
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF
  申请人：Wentland Mark P.

  公开号：US20090247562A1

  公开（公告）日：2009-10-01

  8-Substituted-2,6-methano-3-benzazocines of general structure are useful as analgesics, anti-diarrheal agents, anticonvulsants, antitussives and anti-addiction medications.
• FUSED-RING HETEROCYCLE OPIOIDS
  申请人：Wentland Mark P.

  公开号：US20100130512A1

  公开（公告）日：2010-05-27

  Compounds of formula: are disclosed. In these compounds is a heterocyclic ring. The compounds are useful as analgesics, anti-pruritics, anti-diarrheal agents, anticonvulsants, antitussives, anorexics/antiobesity agents and as treatments for hyperalgesia, drug addiction, respiratory depression, dyskinesia, pain (including neuropathic pain), irritable bowel syndrome and gastrointestinal motility disorders.
• LARGE SUBSTITUENT, NON-PHENOLIC AMINE OPIOIDS
  申请人：Wentland Mark P.

  公开号：US20100190817A1

  公开（公告）日：2010-07-29

  8-Substituted-2,6-methano-3-benzazocines of general structure are useful as analgesics, anti-diarrheal agents, anticonvulsants, antitussives and anti-addiction medications.
• METHODS OF USING 8-CARBOXAMIDO-2,6-METHANO-3-BENZAZOCINES
  申请人：Wentland Mark P.

  公开号：US20120302591A1

  公开（公告）日：2012-11-29

  8-Substituted-2,6-methano-3-benzazocines of general structure I in which A is —CH 2 —OH, —CH 2 NH 2 , —NHSO 2 CH 3 , and Y is O, S or NOH are useful as analgesics, anti-diarrheal agents, anticonvulsants, antitussives and anti-addiction medications. 8-Carboxamides, thiocarboxamides, hydroxyamidines and formamides are preferred.
• 4-HYDROXYBENZOMORPHANS
  申请人：RENSSELAER POLYTECHNIC INSTITUTE

  公开号：US20130231361A1

  公开（公告）日：2013-09-05

  4-Hydroxybenzomorphans containing carboxamide or thiocarboxamide at the 3-position are useful as analgesics, anti-diarrheal agents, anticonvulsants, antitussives and anti-addiction medications. A compound of formula is disclosed, as are pharmaceutically acceptable acid addition salts, such as acetic, benzenesulfonic (besylate), benzoic, camphorsulfonic, citric, ethenesulfonic, fumaric, gluconic, glutamic, hydrobromic, hydrochloric, isethionic, lactic, maleic, malic, mandelic, methanesulfonic, mucic, nitric, pamoic, pantothenic, phosphoric, succinic, sulfuric, tartaric acid or p-toluenesulfonic acid salts. These compounds are useful for the treatment of pain.