Piroxantrone hydrochloride | 105118-12-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: Piroxantrone hydrochloride
• 英文别名: 10-(3-aminopropylimino)-6,8-dihydroxy-14-[2-(2-hydroxyethylamino)ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,4,6,8,11,13(16)-hexaen-3-one;dihydrochloride
• CAS: 105118-12-5
• 化学式: C21H27Cl2N5O4
• 分子量: 484.4
• InChiKey: CUQBHBIRETUGIM-UHFFFAOYSA-N

物化性质

• 熔点：
  195-200 °C (decomp)(Solv: ethanol (64-17-5); water (7732-18-5))
• 溶解度：
  H2O > 11.20 (mg/mL)
• 稳定性/保质期：

  Bulk: Samples stored at 25 °C under both light and dark conditions at 50 °C in the dark for three months showed no significant degradation (HPLC). Solution: A solution containing 10.2 mg/mL in water showed approximately 5% degradation in 24 hours. The test sample exhibited < 10% degradation in 48 hours.

计算性质

• 辛醇/水分配系数(LogP)：
  1.16
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  143
• 氢给体数：
  8
• 氢受体数：
  9