290810 <common-name>2-[[4-[carboxymethyl(methyl)carbamoyl]-2,3,5,6-tetraiodobenzoyl]-methylamino]acetic acid</common-name> <description>2-[[4-[carboxymethyl(methyl)carbamoyl]-2,3,5,6-tetraiodobenzoyl]-methylamino]acetic acid belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It has the formula C14H12I4N2O6. With an average molecular weight of 811.87 g/mol, 2-[[4-[carboxymethyl(methyl)carbamoyl]-2,3,5,6-tetraiodobenzoyl]-methylamino]acetic acid is a heavy molecule.</description> <cas>34737-27-4</cas> <pubchem-id>215003</pubchem-id> <chemical-formula>C14H12I4N2O6</chemical-formula> <weight>811.87</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">2026-08-28T04:50:15Z</created-at> <updated-at type="dateTime">2026-08-28T04:50:15Z</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>CN(CC(=O)O)C(=O)C1=C(C(=C(C(=C1I)I)C(=O)N(C)CC(=O)O)I)I</moldb-smiles> <moldb-formula>C14H12I4N2O6</moldb-formula> <moldb-inchi>InChI=1S/C14H12I4N2O6/c1-19(3-5(21)22)13(25)7-9(15)11(17)8(12(18)10(7)16)14(26)20(2)4-6(23)24/h3-4H2,1-2H3,(H,21,22)(H,23,24)</moldb-inchi> <moldb-inchikey>QFHTZSNIBMPXCL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">811.6874</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.6</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>CHEM286703</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-[[4-[carboxymethyl(methyl)carbamoyl]-2,3,5,6-tetraiodobenzoyl]-methylamino]acetic acid</iupac> <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>Benzoic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0242403</sync-id> <structure-inchikey>QFHTZSNIBMPXCL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10000800000000000000000000000000000000000000000000000000000000000000200000000000004000000000000000000000000000200000000002000000000200004000000000020040000000000000000000000000000000000010000000000000000004000000000000000100000000000000000000000000040040000000000000000000000100000020000000400000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000000000000000400000002000000000000040000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������`�������(�������(�������h��������(�������(������@(������@(������@(������@(������@(������@(�����5� ����5� ������(�������(�������(�������`�������`�������(�������(�������h������5� ����5� ����������������(��� �� ��(��� � h� h� �h���h�� h� ������� ��(��� �����������(��� �� �� �h�B������ �� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:03:20Z</structure-indexed-at> </compound>