戊酰芬太尼 | 122882-90-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 戊酰芬太尼
• 英文名称: N-<1-(2-Phenylethyl)-4-piperidyl>-N-phenylvaleramide
• 英文别名: valerylfentanyl；butylfentanyl；N-[1-(2-Phenylethyl)-4-piperidyl]-N-phenylvaleramide；N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]pentanamide
• CAS: 122882-90-0
• 化学式: C₂₄H₃₂N₂O
• 分子量: 364.531
• InChiKey: VCCPXHWAJYWQMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-(2-苯乙基)-4-哌啶酮 在 sodium tetrahydroborate 、 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 28.0h， 生成 戊酰芬太尼
  参考文献：
  名称：

  芬太尼类似物的碳13核磁共振谱

  摘要：

  据报道芬太尼（1a）和十五个类似物的盐酸盐的自然丰度碳13化学位移。信号是根据化学位移理论，SFORD多重性，信号强度，与模型化合物的比较以及噻吩碳-质子耦合常数进行分配的。除了其法医价值外，数据还表明类似物的溶液构象与盐酸芬太尼相似。

  DOI：

  10.1002/jhet.5570260329

文献信息

• NASAL DRUG PRODUCTS AND METHODS OF THEIR USE
  申请人：Adapt Pharma Limited

  公开号：US20170071851A1

  公开（公告）日：2017-03-16

  Drug products adapted for nasal delivery, comprising a pre-primed device filled with a pharmaceutical composition comprising an opioid receptor antagonist, are provided. Methods of treating opioid overdose or its symptoms with the inventive drug products are also provided.
• FENTANYL ANALOGUE DETECTION METHODS AND KITS THEREOF
  申请人：Veriteque USA, Inc.

  公开号：US20220390439A1

  公开（公告）日：2022-12-08

  A portable detection kit for identifying the presence of narcotic compounds (NCs) includes at least one chemical dye, a catalytic reagent, at least one solvent, and a least one surfactant. The at least one dry chemical dye is configured to undergo physic-chemical interaction with at least one predetermined NC to produce a color visible change. The at least one predetermined NC is selected from the group consisting of fentanyl analogues (FAs) and narcotics containing nitrogen heterocyclic moiety.
• Carbon-13 nuclear magnetic resonance spectra of fentanyl analogs
  作者：G. A. Brine、K. G. Boldt、P.-T. Huang、D. K. Sawyer、F. I. Carroll

  DOI：10.1002/jhet.5570260329

  日期：1989.5

  Natural abundance carbon-13 chemical shifts are reported for the hydrochloride salts of fentanyl (1a) and fifteen analogs. The signals are assigned on the basis of chemical shift theory, SFORD multiplicities, signal intensities, comparisons with model compounds, and thiophene carbon-proton coupling constants. In addition to its forensic value, the data suggest that the solution conformations of the

  据报道芬太尼（1a）和十五个类似物的盐酸盐的自然丰度碳13化学位移。信号是根据化学位移理论，SFORD多重性，信号强度，与模型化合物的比较以及噻吩碳-质子耦合常数进行分配的。除了其法医价值外，数据还表明类似物的溶液构象与盐酸芬太尼相似。