dichloroplatinumdiamine

• ChemBase ID: 126615
• Molecular Formular: Cl2N2Pt
• Molecular Mass: 293.9974
• Monoisotopic Mass: 292.90864437
• SMILES: [N][Pt]([N])(Cl)Cl
• Canonical SMILES: [N][Pt](Cl)(Cl)[N]
• InChI: InChI=1S/2ClH.2N.Pt/h2*1H;;;/q;;;;+2/p-2
• InChIKey: VWWPNPNNEATACB-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloroplatinumdiamine
• IUPAC Traditional name: diamminedichloroplatinum
• Brand Name: Platinol
• Synonyms: Cisplatin

Database IDs

• CAS Number: 15663-27-1
• PubChem SID: 162220945
• PubChem CID: 2767; 84691
• CHEBI ID: 27899
• ATC CODE: L01XA01
• CHEMBL: 273943
• Chemspider ID: 21241270
• DrugBank ID: DB00515
• KEGG ID: D00275
• Unique Ingredient Identifier: Q20Q21Q62J
• Wikipedia Title: Cisplatin
• Medline Plus: a684036

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -9.288998
• LogD (pH = 7.4): -9.288756
• Log P: -8.237
• Molar Refractivity: 43.3024 cm^3
• Polarizability: 15.915642 Å^3
• Polar Surface Area: 55.28 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Intravenous
• Bioavailability: complete
• Excretion: Renal
• Half Life: 30-100 hours
• Metabolism: 56
• Protein Bound: > 95%
• Legal Status: Rx-only (US)
• Pregnancy Category: D (US)