11517 <common-name>sodium iron(III) ethylenediaminetetraacetate</common-name> <description nil="true"/> <cas>15708-41-5</cas> <pubchem-id>27461</pubchem-id> <chemical-formula>C10H12FeN2NaO8</chemical-formula> <weight>367.05</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-19T03:22:10Z</created-at> <updated-at type="dateTime">2026-05-14T19:32:50Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB13381</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[Na+].[Fe+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O</moldb-smiles> <moldb-formula>C10H12FeN2NaO8</moldb-formula> <moldb-inchi>InChI=1S/C10H16N2O8.Fe.Na/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);;/q;+3;+1/p-4</moldb-inchi> <moldb-inchikey>MKWYFZFMAMBPQK-UHFFFAOYSA-J</moldb-inchikey> <moldb-average-mass type="decimal">367.047</moldb-average-mass> <moldb-mono-mass type="decimal">366.984071</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM010412</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00077201</susdat-id> <iupac>sodium 5-(carboxymethyl)-3,10,13-trioxo-2,11,12-trioxa-5,8lambda5-diaza-1-ferratetracyclo[6.3.3.0^{1,5}.0^{1,8}]tetradecan-5-ium-8-ylium-1,1-diuide</iupac> <moldb-polar-surface-area>167.0</moldb-polar-surface-area> <moldb-refractivity>105.69400000000002</moldb-refractivity> <moldb-polarizability>24.522119734427537</moldb-polarizability> <moldb-rotatable-bond-count>11</moldb-rotatable-bond-count> <moldb-acceptor-count>10</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>1.48618497073977</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>8.127849814728965</moldb-pka-strongest-basic> <moldb-physiological-charge>-2</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>0.63</moldb-alogps-logp> <moldb-alogps-logs>-1.84</moldb-alogps-logs> <moldb-alogps-solubility>6.78e+00 g/l</moldb-alogps-solubility> </compound>