364785 <common-name>N,n-bis(2-chloroethyl)-3-methyl-5-nitroimidazole-4-carboxamide</common-name> <description>N,n-bis(2-chloroethyl)-3-methyl-5-nitroimidazole-4-carboxamide is a compound with the formula C9H12Cl2N4O3. It has an average molecular weight of 295.12 g/mol.</description> <cas>61981-98-4</cas> <pubchem-id>3046321</pubchem-id> <chemical-formula>C9H12Cl2N4O3</chemical-formula> <weight>295.12</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">2026-09-01T15:04:31Z</created-at> <updated-at type="dateTime">2026-09-01T15:04:31Z</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>CN1C=NC(=C1C(=O)N(CCCl)CCCl)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C9H12Cl2N4O3</moldb-formula> <moldb-inchi>InChI=1S/C9H12Cl2N4O3/c1-13-6-12-8(15(17)18)7(13)9(16)14(4-2-10)5-3-11/h6H,2-5H2,1H3</moldb-inchi> <moldb-inchikey>IKROBQAQTVEOQA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">294.0286456</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.2</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>CHEM360678</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>N,n-bis(2-chloroethyl)-3-methyl-5-nitroimidazole-4-carboxamide</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>Organoheterocyclic compounds</superklass> <klass>Azoles</klass> <subklass>Imidazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0314757</sync-id> <structure-inchikey>IKROBQAQTVEOQA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000020000000000000000000000000000000000000000000000000000000000000022000000000000000000000000000000000000000000000000000000000000000000020000000000000001000000000400000000000010000000200000400004000000000000901000000002000000000000800000040000000000004000000004000000000001000000400000000000000000000000000000000000000080000004000100000088000000000000004000000000000000000000000000008000000000010000000000008000000000000000000000000000000000040040000000400000001001000202000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEgAAAIABBgBgAAAAAQMHQCgAAAAD AwZAaAAAAAMDAQdAKAAAAAMDBkAoAAAAAwQGQCgAAAADBAYAKAAAAAMECAAo AAAAAwIHACgAAAADAwYAYAAAAAICBgBgAAAAAgIRACAAAAABBgBgAAAAAgIG AGAAAAACAhEAIAAAAAEHICoAAAABAwQIACgAAAADAgggKgAAAP8DAQsAAQAB AmgMAgNoDAMEaAwEBWgMBQYgBgcoAgYIIAgJAAkKAAoLAAgMAAwNAA0OAAQP IA8QKAIPESAFAWgMQgEAAAAFAQIDBAUXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:01:05Z</structure-indexed-at> </compound>