Edetate disodiumProduct ingredient for Edetate disodium anhydrous
- Name
- Edetate disodium
- Drug Entry
- Edetate disodium anhydrous
Edetate disodium anhydrous is a polyvalent chelating agent used to treat hypercalcemia and digitalis toxicity associated ventricular arrhythmias.1
- Accession Number
- DBSALT001820
- Structure
Structure for Edetate disodium (DBSALT001820)
- Synonyms
- disodium (ethylenedinitrilo)tetraacetate dihydrate / Disodium edetate dihydrate / Disodium edetate hydrate / Disodium EDTA dihydrate / Disodium ethylenediaminetetraacetate dihydrate / EDTA disodium salt dihydrate
- UNII
- 7FLD91C86K
- CAS Number
- 6381-92-6
- Weight
- Average: 372.2369
Monoisotopic: 372.075684156 - Chemical Formula
- C10H18N2Na2O10
- InChI Key
- OVBJJZOQPCKUOR-UHFFFAOYSA-L
- InChI
- InChI=1S/C10H16N2O8.2Na.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;2*1H2/q;2*+1;;/p-2
- IUPAC Name
- disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate
- SMILES
- O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O
- External Links
- KEGG Drug
- D01802
- ChemSpider
- 552167
- ChEBI
- 64758
- ChEMBL
- CHEMBL3989507
- Wikipedia
- Ethylenediaminetetraacetic_acid
- Predicted Properties
Property Value Source Water Solubility 72.0 mg/mL ALOGPS logP -1 ALOGPS logP -5 Chemaxon logS -0.67 ALOGPS pKa (Strongest Acidic) 1.5 Chemaxon pKa (Strongest Basic) 7.52 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 161.34 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 84.02 m3·mol-1 Chemaxon Polarizability 25.41 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon