digitoxigenin | 143-62-4

• 物质功能分类: 生物化工 - 提取物
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: digitoxigenin
• 英文别名: 3-Epi-digitoxigenin；3-[(3S,5R,10S,13R,14S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
• CAS: 143-62-4；466-08-0；466-09-1；508-88-3；545-52-8；663-97-8；6788-34-7；7163-59-9；24511-72-6；26703-59-3；38771-50-5
• 化学式: C₂₃H₃₄O₄
• 分子量: 374.521
• InChiKey: XZTUSOXSLKTKJQ-TWNWRCAFSA-N

物化性质

• 熔点：
  253-255 °C (dec.)(lit.)
• 比旋光度：
  D17 +19.1° (c = 1.36 in methanol)
• 沸点：
  423.5°C (rough estimate)
• 密度：
  1.0284 (rough estimate)
• 溶解度：
  DMF：25mg/mL； DMF:PBS(pH 7.2)(1:1)：0.5 mg/mL；二甲基亚砜：20mg/mL；乙醇：5mg/mL
• LogP：
  2.640

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  27
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险等级：
  6.1(a)
• 危险品标志：
  T
• 危险类别码：
  R25
• 危险品运输编号：
  UN 3462 6.1/PG 2
• WGK Germany：
  3
• RTECS号：
  FH4975000
• 包装等级：
  II
• 危险类别：
  6.1(a)
• 安全说明：
  S45
• 危险标志：
  GHS06
• 危险性描述：
  H300
• 危险性防范说明：
  P264,P301 + P310

制备方法与用途

类别：有毒物质

文献信息

• HYDROPHILIC, NON-AQUEOUS PHARMACEUTICAL CARRIERS AND COMPOSITIONS AND USES
  申请人：Tamarkin Dov

  公开号：US20080299220A1

  公开（公告）日：2008-12-04

  A waterless composition suitable for delivery of an active agent to a body surface or cavity includes a vehicle having about 70% to about 99% by weight of a hydrophilic polar solvent, said hydrophilic solvent selected from the group consisting of (i) a mixture of two or more different polyethylene glycols (PEGs), wherein at least one PEG is a high molecular weight PEG having a melting point greater than 25° C.; and (ii) propylene glycol (PG); about 0% to about 10% of at least one surface active agent; about 0% to about 5% of a polymeric agent; about 0% to about 30% of a secondary hydrophilic solvent; and about 0% to about 5% of a silicone oil; and about 3% to about 25% hydrophobic propellant. The composition is otherwise substantially free of a hydrophobic solvent and includes at least one of a surface active agent and a polymeric agent. The vehicle and the propellant are sufficiently miscible that the components may be homogeneously distributed with mild shaking.