(2beta,5alpha,8Xi,9Xi,14Xi,16beta,17beta)-17-乙酰氧基-16-(1-甲基-1-哌啶鎓基)-2-(1-哌啶基)雄甾烷溴化物 | 85639-52-7

• 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
• 中文名称: (2beta,5alpha,8Xi,9Xi,14Xi,16beta,17beta)-17-乙酰氧基-16-(1-甲基-1-哌啶鎓基)-2-(1-哌啶基)雄甾烷溴化物
• 英文名称: 3-(Deacetoxy)vecuronium
• 英文别名: [(2R,5S,10S,13S,16S,17R)-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;bromide
• CAS: 85639-52-7
• 化学式: C32H55BrN2O2
• 分子量: 579.7
• InChiKey: GIQDUKCSXUULNH-ONKPHSJPSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.43
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Novel mono - and bisquaternary ammonium derivatives of 2-beta, 16-beta-diamino-5-alpha-androstane derivatives and pharmaceutical preparations containing same
  申请人：AKZO N.V.

  公开号：EP0067480A1

  公开（公告）日：1982-12-22

  This invention relates to novel mono- and bisquaternary ammonium derivatives of 5a-androstanes having the formula: wherein: R, = H or alkyl (1-4 C); R2 and R3 each are alkyl (1-4 C) or form together with the N-atom a piperidino, pyrrolidino or morpholino group; R4 = 0 or H(βOR5) and R5 = H or acyl derived from an organic carboxylic acid having 1-18, preferably 1-6 carbon atoms; the quaternarising group being a saturated or unsaturated aliphatic hydrocarbon group having 1-4 carbon atoms the anion being halide; and acid addition salts of the monoquaternary compounds; and to pharmaceutical preparations containing one or more of said androstane compounds as active constituent. The compounds according to the invention are non-depolarising neuromuscular blocking agents having very quick onset and recovery characteristics, a short duration of action and a favourable dissociation between muscle blocking and vagal blocking effects.

  本发明涉及具有以下式子的 5a 雄烷的新型单季铵和双季铵衍生物： 其中 R，= H或烷基（1-4 C）； R2和R3各自为烷基（1-4 C）或与N原子一起形成哌啶基、吡咯烷基或吗啉基； R4 = 0 或 H（βOR5）和 R5 = H 或源自具有 1-18 个碳原子，最好是 1-6 个碳原子的有机羧酸的酰基；季铵化基团为具有 1-4 个碳原子的饱和或不饱和脂肪族烃基，阴离子为卤化物；以及单季化合物的酸加成盐；以及含有一种或多种上述雄甾烷化合物作为活性成分的药物制剂。 本发明的化合物是非去极化神经肌肉阻断剂，具有起效快、恢复快、作用时间短以及肌肉阻断和迷走神经阻断效应之间的良好分离特性。
• US4447425A
  申请人：——

  公开号：US4447425A

  公开（公告）日：1984-05-08