Basic information
- Standard SMILES
O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd]- InChIKey
CYPYTURSJDMMMP-WVCUSYJESA-N- Molecular formula
- C51H42O3Pd2
- Average molar mass
- 915.7 g/mol
- Monoisotopic mass
- 914.12036
Names & identifiers
- Preferred name
- Bis(dibenzylideneacetone)palladium
- IUPAC
- tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
Names & synonyms
Bis(dibenzylideneacetone)palladiumRefChem:56904551364-51-3Tris(dibenzylideneacetone)dipalladium(0)tris(dibenzylideneacetone)dipalladiumpd2(dba)360748-47-2Pd2dba3MFCD00013310Tris(Dibenzylideneacetone)dipalladium (0)TRIS(DIBENZYLIDENEACETONYL)BIS-PALLADIUMTRIS DBA
Show more names
tris(dibenzylideneacetone) dipalladium(0)tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one) dipalladiumtris[dibenzylideneacetone]dipalladium (0)tris-(dibenzylideneacetone)dipalladiumC51H42O3Pd2Tris(dibezylideneacetone)dipalladiumPd2 dba3tris(dibenzylideneacetone)dipalladium (o)
Database identifiers
- CAS
51364-51-3- PubChem CID
- 9811564
- UNII
- 9QT8U6472D
Properties
Computed structural properties
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 272
Safety & regulation
Toxicology
Health EffectsContact with palladium may cause palladium sensitivity and allergy. Animal studies have shown that palladium may damage the liver and kidney. (L798)
Toxicity Summary
Due to their ability to form strong complexes with both inorganic and organic ligands, palladium ions can disturb cellular equilibria, replace other essential ions, and interact with functional groups of macromolecules, such as proteins or DNA. Palladium complexes binding to DNA and RNA leads to strand breakage. Palladium ions are able to inhibit most major cellular functions, including DNA and RNA synthesis. Palladium compounds have been shown to bind to and inhibit various enzymes, including creatine kinase and prolyl hydroxylase. (L798)
Signs and SymptomsSkin contact with palladium may cause contact dermatitis, erythema, and oedema. (L798)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Chemistry & industry
Pharmacology
Metabolism/Metabolites
Palladium may be absorbed through oral, dermal, and inhalation exposure. Once in the body it distributes to the kidney, liver, spleen, lymph nodes, adrenal gland, lung and bone. Palladium's ability to form complexes allows it the bind to amino acids, proteins, DNA, and other macromolecules. Palladium and its metabolites are excreted in the urine and faeces. (A21)
Related reactions
10,851 records
Linked notes
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