1-carbamimidamido-N,N-bis(2H3)methylmethanimidamide hydrochloride

• ChemBase编号: 172593
• 分子式: C4H12ClN5
• 平均质量: 165.62458
• 单一同位素质量: 165.07812309
• SMILES: N(C(=N)NC(=N)N)(C)C.Cl
• Canonical SMILES: CN(C(=N)NC(=N)N)C.Cl
• InChI: InChI=1S/C4H11N5.ClH/c1-9(2)4(7)8-3(5)6;/h1-2H3,(H5,5,6,7,8);1H
• InChIKey: OETHQSJEHLVLGH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-carbamimidamido-N,N-bis(^2H₃)methylmethanimidamide hydrochloride
• IUPAC传统名: 1-carbamimidamido-N,N-bis(^2H₃)methylmethanimidamide hydrochloride
• 别名: N,N-Dimethylimidodicarbonimidic Diamide-d6, Hydrochloride; Diabetosan-d6; Diabex-d6, Glucophage-d6; Metiguanide-d6; Metformin-d6, Hydrochloride

登记号

• PubChem SID: 164228503
• PubChem CID: 45039707

理论计算性质

• 质子受体: 5
• 质子供体: 4
• LogD (pH = 5.5): -5.7474184
• LogD (pH = 7.4): -5.6176996
• Log P: -0.91842926
• 摩尔折射率: 56.6427 cm^3
• 极化性: 12.998098 Å^3
• 极化表面积: 88.99 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: White Solid
• 熔点: 215-218°C

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - M258812

An oral hypoglycemic agent.

参考文献

• Tucker, G.T., et al.: Brit. J. Clin. Pharmacol., 12, 235 (1981)
• DeFronzo, R.A., et al.: N. Engl. J. Med., 333, 541 (1995)