(1R,2R,3S,5S)-3-羟基-8-甲基-8-氮杂双环[3.2.1]辛烷-2-羧酸乙酯 | 70939-97-8

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 托烷生物碱
• 中文名称: (1R,2R,3S,5S)-3-羟基-8-甲基-8-氮杂双环[3.2.1]辛烷-2-羧酸乙酯
• 英文名称: ecgonine ethyl ester
• 英文别名: (1R)-3exo-hydroxy-tropane-2exo-carboxylic acid ethyl ester；(1R)-3exo-Hydroxy-tropan-2exo-carbonsaeure-aethylester；ethyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
• CAS: 70939-97-8
• 化学式: C₁₁H₁₉NO₃
• 分子量: 213.277
• InChiKey: ABDMBNAKYBUEEX-QCLAVDOMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  古卡因 在 盐酸 作用下， 生成 (1R,2R,3S,5S)-3-羟基-8-甲基-8-氮杂双环[3.2.1]辛烷-2-羧酸乙酯
  参考文献：
  名称：

  The synthesis of deuterium-labelled cocaine, cocaethylene and metabolites

  摘要：

  We describe the syntheses of benzoylecgonine (1,1,1-H-2(3))methyl ester [(H-2(3)) cocaine], (H-2(5))benzoylecgonine, (H-2(5))benzoylecgonine methyl ester [(H-2(5))cocaine], benzoylecgonine (2,2,2-H-2(3))ethyl ester [(H-2(3))cocaethylene], (H-2(5))benzoylecgonine ethyl ester [(H-2(5))cocaethylene], (H-2(5))benzoylecgonine (2,2,2-H-2(3))ethyl ester [(H-2(8))cocaethylene], ecgonine(1,1,1 -H-2(3))methyl ester, ecgonine (2,2,2-H-2(3))ethyl ester, ecgonine(1,1,2,2,2-H-2(5))ethyl ester and anhydroecgonine( 1,1,1-H-2(3))methyl ester. -(H-2(5))Cocaine and (H-2(3))cocaethylene have been administered to human subjects to study the interactions of cocaine and ethanol. The other eight compounds were utilized as analytical standards or internal standards for GC-MS quantitation of cocaine and its metabolites in biological fluids.

  DOI：

  10.1002/(sici)1099-1344(19991230)42:13<1265::aid-jlcr283>3.0.co;2-y

文献信息

• Pharmaceutical compositions and methods of using the same
  申请人：Genus Lifesciences Inc.

  公开号：US10016407B1

  公开（公告）日：2018-07-10

  Novel pharmaceutical compositions including cocaine hydrochloride and methods of treating patients using those pharmaceutical compositions are described.

  描述了包括盐酸可卡因在内的新型药物组合物以及使用这些药物组合物治疗患者的方法。
• Rosenmund; Zymalkowski, Chemische Berichte, 1952, vol. 85, p. 152,158
  作者：Rosenmund、Zymalkowski

  DOI：——

  日期：——
• SAMPLE ANALYSING DEVICE
  申请人：Intelligent Fingerprinting Limited

  公开号：EP3172566B1

  公开（公告）日：2019-10-16
• A METHOD FOR MEASURING A CONCENTRATION OF A BIOMARKER/ANALYTE IN BLOOD FROM MAMMALS
  申请人：REDHOTDIAGNOSTICS AB

  公开号：EP3891505A1

  公开（公告）日：2021-10-13
• A Method for Measuring a Concentration of a Biomarker-Analyte In Blood from Mammals
  申请人：Redhot Diagnostics AB

  公开号：US20220187304A1

  公开（公告）日：2022-06-16

  The present invention relates to a method for measuring a concentration of one or more biomarker in blood from a mammal comprising: —providing a kit of parts for sampling blood comprising a lancet and a capillary, a vial comprising an extraction fluid and one or more internal standard, which is a radioisotope of one or more biomarker adapted to assess a quality and a concentration of the one or more biomarker in the blood sample, —distributing the kit of parts to the mammal, —receiving the vial comprising a blood sample inserted into the vial, —analysing the sample to determine the quality of the sample and the concentration of the one or more biomarker in the blood of the mammal by centrifuging the vial and performing a direct analysis of the supernatant.