去环丙甲基纳美芬 | 42971-33-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 中文名称: 去环丙甲基纳美芬
• 英文名称: Nornalmefene
• 英文别名: (4R,4aS,7aS,12bS)-7-methylidene-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
• CAS: 42971-33-5
• 化学式: C₁₇H₁₉NO₃
• 分子量: 285.343
• InChiKey: QUXLQAACGCFFEX-ISWURRPUSA-N

物化性质

• 沸点：
  487.4±45.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  61.7
• 氢给体数：
  3
• 氢受体数：
  4

ADMET

代谢

去甲纳曲酮已知的人类代谢物包括去甲纳曲酮O-葡萄糖苷酸。

Nornalmefene has known human metabolites that include Nornalmefene O-glucuronide.

来源:NORMAN Suspect List Exchange

反应信息

• 作为反应物：
  描述：

  环丙基甲基氯 、 去环丙甲基纳美芬 在 环丙基甲基氯 作用下， 生成 盐酸纳美芬
  参考文献：
  名称：

  6-methylene-6-desoxy dihydro morphine and codeine derivatives and pharmaceutically acceptable salts

  摘要：

  公开号：

  US03814768A1
• 作为产物：
  描述：

  生成 去环丙甲基纳美芬
  参考文献：
  名称：

  6-methylene-6-desoxy dihydro morphine and codeine derivatives and pharmaceutically acceptable salts

  摘要：

  公开号：

  US03814768A1

文献信息

• Disposition of the opioid antagonist, nalmefene, in rat and dog
  作者：S. S. Murthy、C. Mathur、L. T. Kvalo、R. A. Lessor、J. A. Wilhelm

  DOI：10.3109/00498259609046748

  日期：1996.1

  1. The disposition of nalmefene in rat and dog was studied using in vitro and in vivo methodology. In vitro metabolite profiles were obtained following incubation of nalmefene with liver microsomes and biological fluids were assayed to profile in vivo metabolites. Characterization of metabolites was accomplished using hplc, co-chromatography with synthetic standards, or LC/MS.2. In rat, tissue distribution and metabolite plasma concentration-time data were obtained following intravenous bolus dosing of nalmefene.3. The results indicate that the primary phase I metabolite of nalmefene from liver microsome incubations was the N-dealkylated metabolite, nornalmefene. Quantitative metabolite production was rat much greater than dog. In vivo, nornalmefene glucuronide was the major metabolite in rat urine, whereas nalmefene glucuronide(s) were predominant in dog urine.4. More than 90 % of the radioactive dose was recovered in the rat excreta and tissues 24 h after an intravenous bolus dose of C-14-nalmefene, with no apparent organ-specific retention of radioactivity.5. Pharmacokinetic analysis of the rat plasma metabolite data indicated that terminal half-lives for nalmefene and nornalmefene were comparable (similar to 1 h). However, C-max and AUC of nornalmefene were less than or equal to 7 % that of corresponding nalmefene values.
• US9546177B2
  申请人：——

  公开号：US9546177B2

  公开（公告）日：2017-01-17