63416 <common-name>4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl)benzoic acid</common-name> <description>4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl)benzoic acid belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the formula C18H20N4O4 and an average molecular weight of 356.38 g/mol.</description> <cas>358390-39-3</cas> <pubchem-id>22498821</pubchem-id> <chemical-formula>C18H20N4O4</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">2026-04-03T00:18:49Z</created-at> <updated-at type="dateTime">2026-04-03T00:18:49Z</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>CCCC1=NC(C)=C2N1NC(=NC2=O)C1=C(OCC)C=CC(=C1)C(O)=O</moldb-smiles> <moldb-formula>C18H20N4O4</moldb-formula> <moldb-inchi>InChI=1S/C18H20N4O4/c1-4-6-14-19-10(3)15-17(23)20-16(21-22(14)15)12-9-11(18(24)25)7-8-13(12)26-5-2/h7-9H,4-6H2,1-3H3,(H,24,25)(H,20,21,23)</moldb-inchi> <moldb-inchikey>KZNXGHYOSBOMJW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">356.382</moldb-average-mass> <moldb-mono-mass type="decimal">356.148455</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>11436242</chemspider-id> <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>CHEM059309</chemdb-id> <dsstox-id>DTXSID70626256</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00015017</susdat-id> <iupac>4-ethoxy-3-(5-methyl-4-oxo-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzoic 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">0</paper-count> <sync-id>CED0158895</sync-id> <structure-inchikey>KZNXGHYOSBOMJW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800a00000000060000000000000000000000001400000000000002000022000000008000002004000000004004000080000000000000040000000000080000000000000000000020000000000100000000200000000000000020010000000000000000100000000000000100000000004000000000000000000040000000000000200000200000000000000000000000021040000000020000000000020000000000084000000400002080080000000000000000000000000000000000000040000000000001000000004000002200000200000000000000200000000001000040000000000400000000000020000000000000000020</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������@(������@(������@(�������`������@(������@(������@8�������@(������@(������@(�������(������@(������@(�������(�������`�������`������@h�������@h�������@(������@h��������(�������h��������(�����������������h���h������h���h�� h� h� �h���h�� (� � ��h��� ��������h���h���h���h��� �� ��(���h���h���h�B����������� ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:16:15Z</structure-indexed-at> </compound>