19-oxo-3,4-didehydro-ibogamine-1,18-dicarboxylic acid dimethyl ester | 60755-13-7

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 依波格型生物碱
• 英文名称: 19-oxo-3,4-didehydro-ibogamine-1,18-dicarboxylic acid dimethyl ester
• 英文别名: Dimethyl 17-ethyl-14-oxo-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1,3-dicarboxylate
• CAS: 60755-13-7
• 化学式: C₂₃H₂₄N₂O₅
• 分子量: 408.454
• InChiKey: ZIYMOPLDLJAHDS-UHFFFAOYSA-N

物化性质

• 沸点：
  574.8±60.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  77.8
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• FLUORINATED CATHARANTHINE DERIVATIVES, THEIR PREPARATION AND THEIR UTILISATION AS VINCA DIMERIC ALKALOID PRECURSORS
  申请人：Moisan Lionel

  公开号：US20100093997A1

  公开（公告）日：2010-04-15

  The fluorinated derivatives of catharanthine according to the invention respond to the general formula I: in which: the dotted line expresses the possibility of the presence of a double bond when the substitution —X is absent or else a single bond when —X designates a substitution for a group: H, OR, NR′R″, SR, or a halogen atom with R, R′ and R″ designating independently of one another a hydrogen atom or a linear or branched alkyl group in C 1 to C 6 , R 1 , R 2 and R 3 represent independently of one another an atom of hydrogen, of fluorine or a methylated group, on the condition nevertheless that at least one of the radicals R 1 and R 2 represents an atom of fluorine, and n=1 or 2.
• US8101748B2
  申请人：——

  公开号：US8101748B2

  公开（公告）日：2012-01-24