N-butyl-1-carbamimidamidomethanimidamide hydrochloride

• ChemBase编号: 163084
• 分子式: C6H16ClN5
• 平均质量: 193.67774
• 单一同位素质量: 193.10942322
• SMILES: C(C)CCNC(=N)NC(=N)N.Cl
• Canonical SMILES: CCCCNC(=N)NC(=N)N.Cl
• InChI: InChI=1S/C6H15N5.ClH/c1-2-3-4-10-6(9)11-5(7)8;/h2-4H2,1H3,(H6,7,8,9,10,11);1H
• InChIKey: KKLWSPPIRBIEOV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-butyl-1-carbamimidamidomethanimidamide hydrochloride
• IUPAC传统名: 1 butylbiguanide hydrochloride
• 别名: N-Butylidodicarbonimidic Diamide Hydrochloride; 1-Butylbiguanide Hydrochloride; Buformine; Butformin; Butylbiguanide; Butyldiguanide; DBV; Dibetos B; Glybigid; Panformin; Sindiatil; Tidemol; Ziavetine; Buformin Hydrochloride; N-butyl-1-carbamimidamidomethanimidamide hydrochloride

登记号

• CAS号: 1190-53-0
• MDL号: MFCD00045591
• PubChem SID: 162257219
• PubChem CID: 84976

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: 166-172°C; 169 - 171°C
• 疏水性(logP): -1.197

安全信息

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

产品相关信息

• 纯度: 95%

详细说明

Toronto Research Chemicals - B689520

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).