N-butyl-1-carbamimidamidomethanimidamide hydrochloride

• ChemBase ID: 163084
• Molecular Formular: C6H16ClN5
• Molecular Mass: 193.67774
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-1-carbamimidamidomethanimidamide hydrochloride
• IUPAC Traditional name: 1 butylbiguanide hydrochloride
• Synonyms: 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

Database IDs

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

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 5
• LogD (pH = 5.5): -4.684388
• LogD (pH = 7.4): -4.4946766
• Log P: 0.14349368
• Molar Refractivity: 65.2216 cm^3
• Polarizability: 16.660162 Å^3
• Polar Surface Area: 97.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: White Solid
• Melting Point: 166-172°C; 169 - 171°C
• Hydrophobicity(logP): -1.197

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere

Product Information

• Purity: 95%

DETAILS

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.

REFERENCES

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