70885 <common-name>Tretazicar</common-name> <description>Tretazicar is an organic compound with the formula C9H8N4O5 and an average molecular weight of 252.19 g/mol. Tretazicar belongs to the aniline and substituted anilines, a subclass of benzene and substituted derivatives within the organic compounds. Biologically, the compound functions as a drug (PMC5997408) and a prodrug (PMC9820340). It acts as an inhibitor of two recorded protein targets: Ribosyldihydronicotinamide dehydrogenase [quinone] (NQO2) and Oxygen-insensitive NAD(P)H nitroreductase (nfsB).</description> <cas>21919-05-1</cas> <pubchem-id>89105</pubchem-id> <chemical-formula>C9H8N4O5</chemical-formula> <weight>252.18</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">2026-04-03T17:46:29Z</created-at> <updated-at type="dateTime">2026-08-25T22:05:18Z</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>DB04253</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>NC(=O)C1=CC(N2CC2)=C(C=C1[N+]([O-])=O)[N+]([O-])=O</moldb-smiles> <moldb-formula>C9H8N4O5</moldb-formula> <moldb-inchi>InChI=1S/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14)</moldb-inchi> <moldb-inchikey>WOCXQMCIOTUMJV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">252.186</moldb-average-mass> <moldb-mono-mass type="decimal">252.049469</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.64</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>80403</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>CHEM066778</chemdb-id> <dsstox-id>DTXSID00176335</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00026999</susdat-id> <iupac>5-(aziridin-1-yl)-2,4-dinitrobenzamide</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>Aniline and substituted anilines</subklass> <paper-count type="integer">44</paper-count> <sync-id>CED0024304</sync-id> <structure-inchikey>WOCXQMCIOTUMJV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000010000000000000000000400000000002000000000000100000000000000000000000000000000000000000000001000000000000020000000000000001800000000400000000010010000000200000000100000000000020100000000000000000000000000000000000000000000000002000000001000001000000000000000000000000100000000000000000000080000000000000200000000008000000800000000000000000000000000000000000000000000000002000008000000000000000000000000000000000040000000000400000000001000000100080000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEwAAAIABBwBoAAAAAwECBgAoAAAA AwQIACgAAAADAgZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQHACgAAAADAwYA YAAAAAICBgBgAAAAAgIGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEByAqAAAA AQMECCAqAAAA/wMBCAAoAAAAAwIHICoAAAABAwQIICoAAAD/AwEIACgAAAAD AgsAASABAigCAQMgAwRoDAQFaAwFBiAGBwAHCAAFCWgMCQpoDAoLaAwLDCAM DSAMDigCCQ8gDxAgDxEoAgsDaAwIBgBCAgAAAAYDCwoJBQQDBwYIFwQAAAAA AAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:20:18Z</structure-indexed-at> </compound>