Pentetate calcium trisodium

Base Information

• Chemical Name: Pentetate calcium trisodium
• CAS No.: 12111-24-9
• Deprecated CAS: 1058981-05-7,11070-37-4,12001-88-6,12153-86-5,12242-50-1,12257-43-1,1282-74-2,1317-31-3,1337-58-2,17034-67-2,19632-02-1,211115-31-0,215297-13-5,35284-67-4,50884-26-9,51681-43-7,6139-48-6,62-34-0,62796-80-9
• Molecular Formula: C14H18 Ca N3 O10 . 3 Na
• Molecular Weight: 497.40
• European Community (EC) Number: 235-169-1
• UNII: G79YN26H5B
• DSSTox Substance ID: DTXSID8065248
• Nikkaji Number: J122.455G
• Wikidata: Q27278883
• NCI Thesaurus Code: C74576
• RXCUI: 132879
• ChEMBL ID: CHEMBL1200945
• Mol file: 12111-24-9.mol

Synonyms:Ca-DTPA;CaDTPA;calcium trisodium pentetate;CaNa-DTPA;DETAPAC;Diethylenetriamine Pentaacetic Acid;DTPA;Indium DTPA;Indium-DTPA;Mn-Dtpa;Pentaacetic Acid, Diethylenetriamine;Pentacin;Pentacine;Pentaind;Pentetate Calcium Trisodium;Pentetate Zinc Trisodium;Pentetate, Calcium Trisodium;Pentetates;Pentetic Acid;Penthanil;Sn-DTPA;Zinc DTPA;Zinc-DTPA

Chemical Property of Pentetate calcium trisodium

Chemical Property:

• Vapor Pressure: 9.53E-23mmHg at 25°C
• Boiling Point: 721.1°Cat760mmHg
• Flash Point: 389.9°C
• PSA: 182.71000
• Density: g/cm³
• LogP: -6.90500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 11
• Exact Mass: 497.0311175
• Heavy Atom Count: 31
• Complexity: 454

Purity/Quality:

99% ^*data from raw suppliers

Pentetate sodium calcium European Pharmacopoeia (EP) Reference Standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Ca+2]
• Uses: Chelating agent (plutonium). Pentetate Trisodium Calcium is used as a local treatment to remove 90Y from a puncture wound and minimize 90Y-distribution to bone.