(+/-)3-[4-[2-(3,4-Dihydro-2H-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxy propanoic acid tris(hydroxymethyl)aminomethane salt | 412316-73-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: (+/-)3-[4-[2-(3,4-Dihydro-2H-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxy propanoic acid tris(hydroxymethyl)aminomethane salt
• 英文别名: 2-Amino-2-(hydroxymethyl)propane-1,3-diol;3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanoic acid
• CAS: 412316-73-5
• 化学式: C₄H₁₁NO₃*C₂₁H₂₅NO₄S
• 分子量: 508.636
• InChiKey: AYCFKGZXWZNNGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.37
• 重原子数：
  35
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  171
• 氢给体数：
  5
• 氢受体数：
  10

文献信息

• Pharmaceutically acceptable salts of bicyclic compounds
  申请人：DR. REDDY'S LABORATORIES LTD.

  公开号：US20020142993A1

  公开（公告）日：2002-10-03

  The present invention relates to pharmaceutically acceptable salts of compound of the general formula (I), their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them. 1

  本发明涉及一般式（I）化合物的药学上可接受的盐、其衍生物、类似物、互变异构体、立体异构体、多晶形态、药学上可接受的溶剂化合物，以及包含它们的药学上可接受的组合物。
• [EN] SALTS OF BENZOTHIAZINE AND BENZOXAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] SELS DE DERIVES DE BENZOTHIAZINE ET DE BENZOXAZINE ET COMPOSITIONS PHARMACEUTIQUES A BASE DE CES SELS
  申请人：REDDY RESEARCH FOUNDATION

  公开号：WO2002030914A1

  公开（公告）日：2002-04-18

  The present invention relates to pharmaceutically acceptable salts of compound of the general formula (I), their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them. wherein R1 represents hydrogen, halogen atom such as fluorine, chlorine, bromine or iodine; hydroxy, nitro, cyano or lower alkyl group; R2 represents hydrogen, lower alkyl or oxo group; X represents a heteroatom selected from oxygen or sulfur; R3 represents hydrogen or lower alkyl group; n is an integer ranging from 1-4; M represents a counter ion or a moiety which forms a pharmaceutically acceptable salt; p is an integer ranging from 1 to 2.

  本发明涉及一般式(I)的化合物的药学上可接受的盐、它们的衍生物、类似物、互变异构体、立体异构体、多晶形、药学上可接受的溶剂化物以及含有它们的药学上可接受的组合物。其中，R1代表氢、卤原子，例如氟、氯、溴或碘；羟基、硝基、氰基或较低的烷基基团；R2代表氢、较低的烷基或氧代基团；X代表从氧或硫中选择的杂原子；R3代表氢或较低的烷基基团；n为1-4之间的整数；M代表一个计数离子或形成药学上可接受的盐的基团；p为1至2之间的整数。