3-(2-diethylaminoethoxy)-17α-aza-D-homo-1,3,5(10)-estratriene | 148491-90-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 3-(2-diethylaminoethoxy)-17α-aza-D-homo-1,3,5(10)-estratriene
• 英文别名: 2-[[(4aS,4bR,10bS,12aS)-12a-methyl-2,3,4,4a,4b,5,6,10b,11,12-decahydro-1H-naphtho[2,1-f]quinolin-8-yl]oxy]-N,N-diethylethanamine
• CAS: 148491-90-1
• 化学式: C₂₄H₃₈N₂O
• 分子量: 370.579
• InChiKey: DCXCVOZAYMMDCX-LWSSLDFYSA-N

物化性质

• 沸点：
  494.8±45.0 °C(predicted)
• 密度：
  1.015±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  24.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 3-(2-diethylaminoethoxy)-17α-aza-D-homo-1,3,5(10)-estratriene 在 sodium tetrahydroborate 作用下， 以 甲醇 、 水 为溶剂， 生成 3-(2-diethylaminoethoxy)-17α-methyl-17α-aza-D-homo-1,3,5(10)-estratriene
  参考文献：
  名称：

  Steroids and related studies: Part 88-3-(2-dialkylaminoethoxy)-17α-methyl-17α-aza-d-homo-1,3,5(10)-estratriene dimethiodides

  摘要：

  Three of the title compounds 15, 16 and 17 were prepared as potential neuromuscular blocking agents. Structurally these partly resemble clinically active chandonium iodide (1). In the in vivo tests, all three compounds were less active than chandonium; however, compounds 16 and 17 were more active in in vitro testings. While preparing the bisquaternary compounds, different steroidal amines were obtained, the hydrochlorides of which when tested showed no significant antiarrhythmic activity.

  DOI：

  10.1016/0223-5234(92)90030-5
• 作为产物：
  描述：

  3-(2-diethylaminoethoxy)-17α-aza-D-homo-1,3,5(10)-estratrien-17-one 在 戊醇 、 sodium 作用下， 生成 3-(2-diethylaminoethoxy)-17α-aza-D-homo-1,3,5(10)-estratriene
  参考文献：
  名称：

  Steroids and related studies: Part 88-3-(2-dialkylaminoethoxy)-17α-methyl-17α-aza-d-homo-1,3,5(10)-estratriene dimethiodides

  摘要：

  Three of the title compounds 15, 16 and 17 were prepared as potential neuromuscular blocking agents. Structurally these partly resemble clinically active chandonium iodide (1). In the in vivo tests, all three compounds were less active than chandonium; however, compounds 16 and 17 were more active in in vitro testings. While preparing the bisquaternary compounds, different steroidal amines were obtained, the hydrochlorides of which when tested showed no significant antiarrhythmic activity.

  DOI：

  10.1016/0223-5234(92)90030-5

文献信息

• Steroids and related studies: Part 88-3-(2-dialkylaminoethoxy)-17α-methyl-17α-aza-d-homo-1,3,5(10)-estratriene dimethiodides
  作者：M Kumar、SK Bhatia、TR Bhardwaj、H Singh、GK Patnaik、BN Dhawan

  DOI：10.1016/0223-5234(92)90030-5

  日期：1992.12

  Three of the title compounds 15, 16 and 17 were prepared as potential neuromuscular blocking agents. Structurally these partly resemble clinically active chandonium iodide (1). In the in vivo tests, all three compounds were less active than chandonium; however, compounds 16 and 17 were more active in in vitro testings. While preparing the bisquaternary compounds, different steroidal amines were obtained, the hydrochlorides of which when tested showed no significant antiarrhythmic activity.