[(3R,6S)-14-hydroxy-19-(2-hydroxy-2-methylpropyl)-7-oxa-4,19-diazahexacyclo[7.7.3.13,8.01,8.02,6.011,16]icosa-11(16),12,14-trien-4-yl]-phenylmethanone

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - Oxamorphinans
• 英文名称: [(3R,6S)-14-hydroxy-19-(2-hydroxy-2-methylpropyl)-7-oxa-4,19-diazahexacyclo[7.7.3.13,8.01,8.02,6.011,16]icosa-11(16),12,14-trien-4-yl]-phenylmethanone
• 化学式: C₂₈H₃₂N₂O₄
• 分子量: 460.6
• InChiKey: LOFNUDFEVFRHRS-XJVVAUETSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  73.2
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• MORPHINAN DERIVATIVE
  申请人：The Kitasato Institute

  公开号：EP2774926A1

  公开（公告）日：2014-09-10

  A morphinan derivative represented by the following general formula (I): (in the formula, R1 represents hydrogen, C1-6 alkyl, cycloalkylalkyl (the cycloalkyl moiety has 3 to 6 carbon atoms, and the alkylene moiety has 1 to 5 carbon atoms), aralkyl (the aryl moiety has 6 to 10 carbon atoms, and the alkylene moiety has 1 to 5 carbon atoms) and the like, R2 represents hydrogen, C1-6 alkyl, C3-6 cycloalkyl, C6-10 aryl, aralkyl (the aryl moiety has 6 to 10 carbon atoms, and the alkylene moiety has 1 to 5 carbon atoms) and the like, R3, R4 and R5 represent hydrogen, hydroxy, carbamoyl, C1-6 alkoxy, C6-10 aryloxy and the like, R6a, R6b, R7, R8, R9, and R10 represent hydrogen and the like, X represents O or CH2, and Y represents C=O, SO2, an atomic bond and the like), or an acid addition salt thereof is used as an analgesic.

  由以下通式 (I) 代表的吗啡南衍生物： (式中，R1 代表氢、C1-6 烷基、环烷基（环烷基有 3 至 6 个碳原子，亚烷基有 1 至 5 个碳原子）、芳烷基（芳基有 6 至 10 个碳原子，亚烷基有 1 至 5 个碳原子）等、 R2 代表氢、C1-6 烷基、C3-6 环烷基、C6-10 芳基、芳烷基（芳基有 6 至 10 个碳原子，亚烷基有 1 至 5 个碳原子）等、 R3、R4 和 R5 代表氢、羟基、氨基甲酰基、C1-6 烷氧基、C6-10 芳氧基等、 R6a、R6b、R7、R8、R9 和 R10 代表氢等、 X 代表 O 或 CH2，以及 Y 代表 C=O、SO2、原子键等）或其酸加成盐用作镇痛剂。