127728 <common-name>Iosumetic acid</common-name> <description>Iosumetic acid belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. It has the chemical formula C13H15I3N2O3. With an average molecular weight of 627.99 g/mol, Iosumetic acid is a heavy molecule. It is further classified under the superclass of benzenoids.</description> <cas>37863-70-0</cas> <pubchem-id>71432</pubchem-id> <chemical-formula>C13H15I3N2O3</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">2026-04-06T11:45:34Z</created-at> <updated-at type="dateTime">2026-05-14T20:31:57Z</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>DB20302</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>CCN(C(=O)CCC(O)=O)C1=C(I)C=C(I)C(NC)=C1I</moldb-smiles> <moldb-formula>C13H15I3N2O3</moldb-formula> <moldb-inchi>InChI=1S/C13H15I3N2O3/c1-3-18(9(19)4-5-10(20)21)13-8(15)6-7(14)12(17-2)11(13)16/h6,17H,3-5H2,1-2H3,(H,20,21)</moldb-inchi> <moldb-inchikey>IGSPYLOKMDUVEX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">627.987</moldb-average-mass> <moldb-mono-mass type="decimal">627.8216864</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>CHEM123621</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00122209</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Anilides</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0185264</sync-id> <structure-inchikey>IGSPYLOKMDUVEX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000001000000000800000000000000000000000000000000000000000000000000002000000000000000040000404000100000000000000000000000000000000000000000002000000000000000020060000000000000000000000000000010000010000000000000000104000000000000800100000000000000000000000080040000000000800000000000080000000000008000000020000800000010000000000000000000000080000000000020000000000000000200000000000000008080000040000000000000000001000000000000000400000001000000000000000000000000040000000000400000000000000000000040000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAFQAAAIABBgBgAAAAAQMGAGAAAAAC AgcAKAAAAAMDBgAoAAAAAwQIACgAAAADAgYAYAAAAAICBgBgAAAAAgIGACgA AAADBAgAaAAAAAMBAQgAKAAAAAMCBkAoAAAAAwQGQCgAAAADBDUAIAAAAAEG QGgAAAADAwEGQCgAAAADBDUAIAAAAAEGQCgAAAADBAcAaAAAAAMCAQYAYAAA AAEDBkAoAAAAAwQ1ACAAAAABCwABAAECAAIDIAMEKAIDBQAFBgAGBwAHCCAH CSgCAgogCgtoDAsMAAsNaAwNDmgMDg8ADhBoDBARIBESABATaAwTFAATCmgM QgEAAAAGChMQDg0LFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:48:13Z</structure-indexed-at> </compound>