2-(2-Hydroxy-3-morpholinopropyl)-4-methyl-5-phenyl-3-isoxazolone hydrochloride | 126311-82-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 2-(2-Hydroxy-3-morpholinopropyl)-4-methyl-5-phenyl-3-isoxazolone hydrochloride
• 英文别名: 2-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methyl-5-phenyl-1,2-oxazol-3-one;hydrochloride
• CAS: 126311-82-8
• 化学式: C₁₇H₂₂N₂O₄*ClH
• 分子量: 354.834
• InChiKey: FKDUVIPRVWOELY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.53
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  62.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(2-hydroxy-3-morpholinopropyl)-4-methyl-5-phenyl-3-isoxazolone 生成 2-(2-Hydroxy-3-morpholinopropyl)-4-methyl-5-phenyl-3-isoxazolone hydrochloride
  参考文献：
  名称：

  NAGANO, MITSUO;SAKAI, DZYUNITI;IVATA, NOBUESI;KOBAYASI, KADZUO

  摘要：

  DOI：

文献信息

• Isoxazole derivatives for use as cerebro-active drugs and central muscle
  申请人：Sankyo Company, Limited

  公开号：US05321037A1

  公开（公告）日：1994-06-14

  Compounds of formula (I): ##STR1## [in which: either (a) the dotted line ( ) is a single bond; A=is oxygen; and B is a group of formula (II): ##STR2## (in which m is 0 and n is 0 or 1) or (b) the dotted line ( ) is a double bond; A=is said group of formula (II) in which m is 1 and n is 0 or 1; and B is absent; and R.sup.1 is hydrogen, halogen, alkyl, alkenyl, alkynyl, optionally substituted benzyl or optionally substituted phenyl; R.sup.2 is hydrogen, halogen, alkyl, optionally substituted phenyl or heterocyclic; or R.sup.1 and R.sup.2, together with the carbon atoms to which they are attached, are a hydrocarbon ring fused to the isoxazole ring; R.sup.3 and R.sup.4 are each hydrogen, alkyl, optionally substituted benzyl or optionally substituted phenyl; or R.sup.3, R.sup.4 and the nitrogen atom to which they are attached together represent an alicyclic amino group]; and salts thereof may be used for the treatment of cerebral circulatory problems and for use as centrally acting muscle relaxants.

  式(I)的化合物：##STR1## [其中：要么(a)虚线( )是单键；A为氧；B是式(II)的基团：##STR2## (其中m为0，n为0或1)；要么(b)虚线( )是双键；A为式(II)中m为1，n为0或1的基团；B不存在；R^1为氢，卤素，烷基，烯基，炔基，可选取代苄基或可选取代苯基；R^2为氢，卤素，烷基，可选取代苯基或杂环基；或R^1和R^2与它们所连接的碳原子一起构成与异噁唑环融合的碳氢环；R^3和R^4分别为氢，烷基，可选取代苄基或可选取代苯基；或R^3、R^4和它们所连接的氮原子一起表示脂环氨基基团]；以及它们的盐可用于治疗脑循环问题和作为中枢作用肌肉松弛剂。
• Isoxazole derivatives for use as cerebro-active drugs and central muscle relaxants
  申请人：Sankyo Company Limited

  公开号：EP0335723B1

  公开（公告）日：1991-12-04
• US5321037A
  申请人：——

  公开号：US5321037A

  公开（公告）日：1994-06-14