N,N-dimethylbiguanidin oxalate

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N-dimethylbiguanidin oxalate
• 英文别名: 3-(Diaminomethylidene)-1,1-dimethylguanidine;oxalic acid；3-(diaminomethylidene)-1,1-dimethylguanidine;oxalic acid
• 化学式: C₂H₂O₄*C₄H₁₁N₅
• 分子量: 219.2
• InChiKey: IPKVXBOCDZINJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.09
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  166
• 氢给体数：
  5
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  草酸 、 二甲双胍 以 水 为溶剂， 生成 N,N-dimethylbiguanidin oxalate
  参考文献：
  名称：

  TwoN,N-dimethylbiguanidium salts displaying double hydrogen bonds to the counter-ions

  摘要：

  The crystal structures of N,N-dimethylbiguanidium oxalate monohydrate, C4H13N52+.C2O42-.H2O, (I), and N, N-dimethylbiguanidium sulfate monohydrate, C4H13N52+.SO42-.H2O, (II), show that both compounds contain the same N, N-dimethylbiguanidium dication. In ( I), two independent oxalate ions lie about inversion centres. Strong double hydrogen bonds, with D...A distances of 2.658 (2) and 2.830 (3) Angstrom in (I), and 2.722 (3) and 2.815 (3) Angstrom in (II), are present between N atoms of the N,N-dimethylbiguanidium moieties and either the carboxylate group of the oxalate anion or the sulfate anion.

  DOI：

  10.1107/s010827010401786x

文献信息

• [EN] SUSTAINED-RELEASE FORMULATION COMPRISING METFORMIN ACID SALT<br/>[FR] FORMULATION À LIBÉRATION PROLONGÉE COMPRENANT UN SEL D'ACIDE DE METFORMINE
  申请人：HANDOK PHARMACEUTICALS CO LTD

  公开号：WO2009017383A2

  公开（公告）日：2009-02-05

  The present invention relates to sustained-release formulation for oral administration, comprising metformin acid salt, more specifically sustained-release formulation for oral administration, and for treating or preventing diabetes mellitus and related diseases thereof, comprising metformin acid salt which lowers aqueous solubility of metformin as an active ingredient.
• Two<i>N</i>,<i>N</i>-dimethylbiguanidium salts displaying double hydrogen bonds to the counter-ions
  作者：Li-Ping Lu、Hong-Mei Zhang、Si-Si Feng、Miao-Li Zhu

  DOI：10.1107/s010827010401786x

  日期：2004.10.15

  The crystal structures of N,N-dimethylbiguanidium oxalate monohydrate, C4H13N52+.C2O42-.H2O, (I), and N, N-dimethylbiguanidium sulfate monohydrate, C4H13N52+.SO42-.H2O, (II), show that both compounds contain the same N, N-dimethylbiguanidium dication. In ( I), two independent oxalate ions lie about inversion centres. Strong double hydrogen bonds, with D...A distances of 2.658 (2) and 2.830 (3) Angstrom in (I), and 2.722 (3) and 2.815 (3) Angstrom in (II), are present between N atoms of the N,N-dimethylbiguanidium moieties and either the carboxylate group of the oxalate anion or the sulfate anion.