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

• ChemBase ID: 172593
• Molecular Formular: C4H12ClN5
• Molecular Mass: 165.62458
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-carbamimidamido-N,N-bis(^2H₃)methylmethanimidamide hydrochloride
• IUPAC Traditional name: 1-carbamimidamido-N,N-bis(^2H₃)methylmethanimidamide hydrochloride
• Synonyms: N,N-Dimethylimidodicarbonimidic Diamide-d6, Hydrochloride; Diabetosan-d6; Diabex-d6, Glucophage-d6; Metiguanide-d6; Metformin-d6, Hydrochloride

Database IDs

• PubChem SID: 164228503
• PubChem CID: 45039707

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -5.7474184
• LogD (pH = 7.4): -5.6176996
• Log P: -0.91842926
• Molar Refractivity: 56.6427 cm^3
• Polarizability: 12.998098 Å^3
• Polar Surface Area: 88.99 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: White Solid
• Melting Point: 215-218°C

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - M258812

An oral hypoglycemic agent.

REFERENCES

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