R(-)-propylnorapomorphine hydrochloride | 20382-71-2

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 阿朴菲
• 英文名称: R(-)-propylnorapomorphine hydrochloride
• 英文别名: (R)-(-)-N-n-propylnorapomorphine hydrochloride；(-)-N-n-Propylnorapomorphine hydrochloride；(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydrochloride
• CAS: 20382-71-2
• 化学式: C₁₉H₂₁NO₂*ClH
• 分子量: 331.842
• InChiKey: PCOQOGIDTIFQAM-XFULWGLBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.05
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  44.9
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  R(-)-propylnorapomorphine hydrochloride 在 palladium on activated charcoal 作用下， 以 二甲基亚砜 、 乙腈 为溶剂， 反应 9.0h， 生成 6a,7-dehydro-N-(n-propyl)noraporphine
  参考文献：
  名称：

  Ram, Vishnu J.; Neumeyer, John L., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1988, vol. 27, # 1-12, p. 947 - 949

  摘要：

  DOI：

文献信息

• Extensive study of the autooxidation products of apomorphine and its pharmacologically active derivatives
  作者：Antal Udvardy、Zsuzsanna Gyulai、Attila Sipos

  DOI：10.1016/j.molstruc.2011.06.041

  日期：2011.9

  The autooxidation phenomenon of apomorphine and the products of this procedure were analytically and pharmacologically studied, however we found that there have been some unclarified details of this filed. Therefore the synthesis and structure of the autooxidation products of three clinically and pharmacologically relevant aporphinoids (apomoprine, N-propyl-norapomorphine and 2-hydroxy-N-propyl-norapomorphine) were thoroughly investigated. The autooxidation of apomorphine achieved at physiological pH resulted two products; one of them is the known tetracyclic, tertiary amino ortho quinone and the hitherto unknown, fluorescent, derivatized phenanthrene-3,4-quinone. Under the same conditions N-propyl congeners resulted only the expected 1,2-dione products. The analytical structure elucidation involved the full H-1 and C-13 NMR assignment, UV and IR characterizations of the four isolated ortho quinone-type products exploiting the possibilities of DFT calculations for geometry optimization. NMR and IR simulations. The phenanthrene-3,4-quinone compound can be relevant in further pharmacological studies of aporphine-related oxidation products due to its potential toxicity and investigated fluorescent character. (C) 2011 Elsevier B.V. All rights reserved.
• RAM, VISHNU J.;NEUMEYER, JOHN L., INDIAN J. CHEM. B, 27,(1988) N0, C. 947-949
  作者：RAM, VISHNU J.、NEUMEYER, JOHN L.

  DOI：——

  日期：——
• Ram, Vishnu J.; Neumeyer, John L., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1988, vol. 27, # 1-12, p. 947 - 949
  作者：Ram, Vishnu J.、Neumeyer, John L.

  DOI：——

  日期：——