N-(2H9)butyl-1-carbamimidamidomethanimidamide

• ChemBase编号: 163085
• 分子式: C6H15N5
• 平均质量: 157.2168
• 单一同位素质量: 157.13274551
• SMILES: C(CCNC(=N)NC(=N)N)C
• Canonical SMILES: CCCCNC(=N)NC(=N)N
• InChI: InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11)
• InChIKey: XSEUMFJMFFMCIU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(^2H₉)butyl-1-carbamimidamidomethanimidamide
• IUPAC传统名: N-(^2H₉)butyl-1-carbamimidamidomethanimidamide
• 别名: N-Butyl-d9-idodicarbonimidic Diamide; 1-Butyl-d9-biguanide; 1-Butylbiguanide-d9; Buformine-d9; Butformin-d9; Butylbiguanid-d9e; Butyldiguanid-d9e; DBV-d9; Dibetos B-d9; Glybigid-d9; H 224-d9; N1-Butylbiguanide-d9; W 37-d9; Buformin-d9

登记号

• PubChem SID: 162257220
• PubChem CID: 46780911

理论计算性质

• 质子受体: 5
• 质子供体: 5
• LogD (pH = 5.5): -4.684388
• LogD (pH = 7.4): -4.4946766
• Log P: 0.14349368
• 摩尔折射率: 65.2216 cm^3
• 极化性: 16.660162 Å^3
• 极化表面积: 97.78 Å^2
• 可自由旋转的化学键: 3
• 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: 134-136°C

安全信息

• 保存条件: Hygroscopic, -20°C Freezer, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - B689522

Buformin, clinically used for diabetes mellitus, is known to improve resistance to insulin in patients. It suppresses the expression of glyceraldehyde 3-phosphate dehydrogenase.

参考文献

• Owen, M.,et al.: J. Biochem., 348, 607 (2000)
• Detaille, D., et al.: Biochem. Pharmacol. 63, 1259 (2002).