7227 <common-name>IRON-CHOLINE CITRATE COMPLEX</common-name> <description nil="true"/> <cas>1336-80-7</cas> <pubchem-id nil="true"/> <chemical-formula>C21H47N3O10</chemical-formula> <weight nil="true"/> <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">2016-05-19T02:10:19Z</created-at> <updated-at type="dateTime">2026-04-05T18:10:56Z</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 nil="true"/> <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>C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O</moldb-smiles> <moldb-formula>C21H47N3O10</moldb-formula> <moldb-inchi>InChI=1S/C6H8O7.3C5H14NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;3*1-6(2,3)4-5-7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*7H,4-5H2,1-3H3/q;3*+1/p-3</moldb-inchi> <moldb-inchikey>RPERJPYDELTDMR-UHFFFAOYSA-K</moldb-inchikey> <moldb-average-mass type="decimal">501.618</moldb-average-mass> <moldb-mono-mass type="decimal">501.326144725</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM006122</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00080610</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>140.61999999999998</moldb-polar-surface-area> <moldb-refractivity>68.13520000000001</moldb-refractivity> <moldb-polarizability>14.227786958814349</moldb-polarizability> <moldb-rotatable-bond-count>11</moldb-rotatable-bond-count> <moldb-acceptor-count>7</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>3.0479515131680732</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.185693450231931</moldb-pka-strongest-basic> <moldb-physiological-charge>-3</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>-1.17</moldb-alogps-logp> <moldb-alogps-logs>-4.51</moldb-alogps-logs> <moldb-alogps-solubility>1.55e-02 g/l</moldb-alogps-solubility> </compound>