4-{5-[4-carbamimidoyl(2H4)phenyl]furan-2-yl}(2H4)benzene-1-carboximidamide

• ChemBase ID: 169505
• Molecular Formular: C18H16N4O
• Molecular Mass: 304.34584
• Monoisotopic Mass: 304.13241115
• SMILES: c1cc(oc1c1ccc(cc1)C(=N)N)c1ccc(cc1)C(=N)N
• Canonical SMILES: NC(=N)c1ccc(cc1)c1ccc(o1)c1ccc(cc1)C(=N)N
• InChI: InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)
• InChIKey: ZJHZBDRZEZEDGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{5-[4-carbamimidoyl(^2H₄)phenyl]furan-2-yl}(^2H₄)benzene-1-carboximidamide
• IUPAC Traditional name: 4-{5-[4-carbamimidoyl(^2H₄)phenyl]furan-2-yl}(^2H₄)benzenecarboximidamide
• Synonyms: 4,4'-(2,5-Furandiyl)bisbenzenecarboximidamide; 2,5-Bis(4-amidinophenyl)furan-d8; 2,5-Bis(4-guanylphenyl)furan-d8; NSC 305831-d8; Furamidine-d8

Database IDs

• PubChem SID: 162263637
• PubChem CID: 10495318

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -2.7414923
• LogD (pH = 7.4): -2.699863
• Log P: 2.0888813
• Molar Refractivity: 111.9438 cm^3
• Polarizability: 36.598476 Å^3
• Polar Surface Area: 112.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - F863602

Labelled analogue of Furamidine, a diphenylfuran compound belonging to an important class of antimicrobial and antiparasitic agents. Furamidine and its analogues also display antitumor activities and showed antiproliferative activities against various tum

REFERENCES

• Lansiaux, A. et al.: Cancer Res., 62, 7219 (2002)
• Steck E.A. et al.: Exp. Parasitol., 52, 404 (2002)
• Balzarini, J. et al.: Incest. New Drugs, 1, 103 (2002)