肾上腺素磺酸 | 26405-77-6

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 肾上腺素磺酸
• 英文名称: (+/-)-epinine β-sulfonate < (+/-)-N-methyl-2-(3,4-dihydroxyphenyl)ethylammonium-2-sulfonate >
• 英文别名: 2-Methylamino-1-<3,4-dihydroxy-phenyl>-aethan-sulfonsaeure-(1)；Epininsulfonsaeure；1-<3,4-Dihydroxy-phenyl>-2-methylamino-aethan-sulfonsaeure；1-(3,4-dihydroxy-phenyl)-2-methylamino-ethanesulfonic acid；1-(3,4-Dihydroxy-phenyl)-2-methylamino-aethansulfonsaeure；1-(3,4-Dihydroxyphenyl)-2-(methylazaniumyl)ethanesulfonate
• CAS: 26405-77-6
• 化学式: C₉H₁₃NO₅S
• 分子量: 247.272
• InChiKey: TYYGQMPOZGEFQL-UHFFFAOYSA-N

物化性质

• 熔点：
  263 °C (decomp)(Solv: hydrochloric acid, N (7647-01-0))
• 密度：
  1.510±0.06 g/cm3(Predicted)
• 溶解度：
  水基（少量溶解）、DMSO（微溶、加热、超声处理）、水（微溶、加热）

计算性质

• 辛醇/水分配系数(LogP)：
  -4.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  115
• 氢给体数：
  4
• 氢受体数：
  6

安全信息

• 海关编码：
  2922299090

反应信息

• 作为产物：
  描述：

  肾上腺素 在 sodium hydrogensulfite 作用下， 生成 肾上腺素磺酸
  参考文献：
  名称：

  Tomino, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1957, vol. 77, p. 1087,1090

  摘要：

  DOI：

文献信息

• Higuchi; Schroeter, Journal of the American Pharmaceutical Association (1912), 1958, vol. 48, p. 535,536
  作者：Higuchi、Schroeter

  DOI：——

  日期：——
• Schroeter et al., Journal of the American Pharmaceutical Association (1912), 1958, vol. 47, p. 723,726
  作者：Schroeter et al.

  DOI：——

  日期：——
• Synthesis and adrenoceptor affinity of some highly polar .beta.-substituted catecholamines
  作者：James G. Henkel、Neil Sikand、Alexandros Makriyannis、Gerald Gianutsos

  DOI：10.1021/jm00142a026

  日期：1981.10

  In order to assess the potential for sympathomimetic or sympatholytic activity within the series of catecholamine beta-sulfonates 3a-c, alpha- and beta-adrenoceptor binding affinities were determined using rat brain homogenate preparations. Furthermore, their potential for indirect activity was assessed by measurement of blockade of norepinephrine uptake into rat synaptosomal preparations. Activity was uniformly low or nonexistent throughout the series. The possibility of unfavorable solution conformational distribution within the series was investigated by examination of the side chain vicinal 1H NMR coupling constants, but no differences that could account for the lack of affinity were found. The observed behavior may be due to receptor intolerance of the bulky beta-sulfonate substituent or an electronic mismatch in which normal H bonding is significantly altered.
• BOJTOR, K.;GERGELYNE, ZOBIN, A.;BUDVARINE, BARANY, Z.;GERGELY, A., GYOGYSZERESZET, 1985, 29, N 12, 449-452
  作者：BOJTOR, K.、GERGELYNE, ZOBIN, A.、BUDVARINE, BARANY, Z.、GERGELY, A.

  DOI：——

  日期：——