Pentetate calcium trisodiumProduct ingredient for Pentetic acid
- Name
- Pentetate calcium trisodium
- Drug Entry
- Pentetic acid
Pentetic acid, also known as diethylenetriaminepentaacetic acid (DTPA), is a synthetic polyamino carboxylic acid with eight coordinate bond forming sites that can sequester metal ions and form highly stable DTPA-metal ion complexes. DTPA, along with its calcium and zinc trisodium salts, are the only FDA approved agents for the treatment of internal contamination by transuranics.1 It is currently considered, in all the dosage forms, as a member of the list of approved inactive ingredients for drug products by the FDA.6 DPTA was developed by the pharmaceutical company CIS US and FDA approved on April 14, 2004.8
- Accession Number
- DBSALT002670 (DB06805)
- Structure
Structure for Pentetate calcium trisodium (DBSALT002670)
- Synonyms
- Calcium trisodium pentetate / DTPA calcium trisodium salt
- UNII
- G79YN26H5B
- CAS Number
- 12111-24-9
- Weight
- Average: 497.356
Monoisotopic: 497.0311175 - Chemical Formula
- C14H18CaN3Na3O10
- InChI Key
- AYFCVLSUPGCQKD-UHFFFAOYSA-I
- InChI
- InChI=1S/C14H23N3O10.Ca.3Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;/q;+2;3*+1/p-5
- IUPAC Name
- calcium trisodium 2-[bis({2-[bis(carboxymethyl)amino]ethyl})amino]acetate
- SMILES
- [Na+].[Na+].[Na+].[Ca++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O
- External Links
- PubChem Compound
- 25513
- PubChem Substance
- 347827798
- ChemSpider
- 23803
- ChEMBL
- CHEMBL1200945
- Predicted Properties
Property Value Source Water Solubility 11.0 mg/mL ALOGPS logP 0.22 ALOGPS logP -6.3 Chemaxon logS -1.7 ALOGPS pKa (Strongest Acidic) 1.95 Chemaxon pKa (Strongest Basic) 8.82 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 13 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 210.37 Å2 Chemaxon Rotatable Bond Count 16 Chemaxon Refractivity 140.63 m3·mol-1 Chemaxon Polarizability 33.9 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon