platinum(4+) ion diazanide dinitrite

• ChemBase ID: 166804
• Molecular Formular: H4N4O4Pt
• Molecular Mass: 319.13416
• Monoisotopic Mass: 318.98804563
• SMILES: [Pt+4].[NH2-].[NH2-].[O-]N=O.[O-]N=O
• Canonical SMILES: [O-]N=O.[O-]N=O.[NH2-].[NH2-].[Pt+4]
• InChI: InChI=1S/2HNO2.2H2N.Pt/c2*2-1-3;;;/h2*(H,2,3);2*1H2;/q;;2*-1;+4/p-2
• InChIKey: PZFKDFQJJRETPZ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: platinum(4+) ion diazanide dinitrite
• IUPAC Traditional name: platinum(4+) ion diazanide dinitrite
• Synonyms: cis-Diamminedinitratoplatinum; (SP-4-2)-Diamminebis(nitrato-κO)platinum; cis-Diamminebis(nitrito-O)platinum

Database IDs

• CAS Number: 41575-87-5
• PubChem SID: 162260937
• PubChem CID: 71315886

CALCULATED PROPERTIES

• Acid pKa: 3.3200002
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.8028829
• LogD (pH = 7.4): -2.2017875
• Log P: 0.16613764
• Molar Refractivity: 7.6 cm^3
• Polarizability: 2.4691868 Å^3
• Polar Surface Area: 52.49 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - D416263

Synthesis and cytotoxic activity of platinum complex immobilized by branched polyethylene glycol. Platinum diammine complexes are anticancer agents for brain tumors.

REFERENCES

• Ouchi, T., et al.: Drug Des. Discov., 9, 93 (1992)
• Ohya, Y., et al.: Macromol. Biosci., 1, 355 (1992)
• Jia, Z., et al.: Bioorg. Med. Chem. Lett.,13, 2531 (1992)