337953 <common-name>13-benzyl-9-chloro-8-methyl-1-nitro-12a,13-dihydro-8h-chromeno[2,3-b][1,5]benzodiazepin-7-one</common-name> <description>13-benzyl-9-chloro-8-methyl-1-nitro-12a,13-dihydro-8h-chromeno[2,3-b][1,5]benzodiazepin-7-one is a chemical compound with the formula C24H18ClN3O4. It has an average molecular weight of 447.90 g/mol.</description> <cas>119707-46-9</cas> <pubchem-id>60710</pubchem-id> <chemical-formula>C24H18ClN3O4</chemical-formula> <weight>447.9</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">2026-08-30T20:56:38Z</created-at> <updated-at type="dateTime">2026-08-30T20:56:38Z</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>CC1C(=CC2=C(C1=O)N=C3C(C=N2)C(C4=C(C=CC=C4O3)[N+](=O)[O-])CC5=CC=CC=C5)Cl</moldb-smiles> <moldb-formula>C24H18ClN3O4</moldb-formula> <moldb-inchi>InChI=1S/C24H18ClN3O4/c1-13-17(25)11-18-22(23(13)29)27-24-16(12-26-18)15(10-14-6-3-2-4-7-14)21-19(28(30)31)8-5-9-20(21)32-24/h2-9,11-13,15-16H,10H2,1H3</moldb-inchi> <moldb-inchikey>DSLWVPMIWHYSCX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">447.0985838</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.3</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>CHEM333846</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>13-benzyl-9-chloro-8-methyl-1-nitro-12a,13-dihydro-8h-chromeno[2,3-b][1,5]benzodiazepin-7-one</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>Benzopyrans</klass> <subklass>1-benzopyrans</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0288382</sync-id> <structure-inchikey>DSLWVPMIWHYSCX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>c00008800000000000002000048000040000000000000000000000800000000200000000020000020040000000000000000200000008000000000008000804000000000000000000001208004000000000018000000004000000000000000000002000000000000400000000100000000400000000200001000010000403000008000000000000000000c0000001100000000000000000400000020040000000008000000080000000000100000008010004000000000000000040000000000200000000090008000000010000000000000000220000400000000200000000000000040000000400000000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAgAAAAJAAAAIABBgBgAAAAAQMGAGAAAAAD AQYAKAAAAAMEBgBoAAAAAwMBBgAoAAAAAwQGACgAAAADBAYAKAAAAAMECAAo AAAAAwIHACgAAAADAwYAKAAAAAMEBgBgAAAAAwEGAGgAAAADAwEHACgAAAAD AwYAYAAAAAMBBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZA aAAAAAMDAQZAKAAAAAMECAAoAAAAAwIHICoAAAABAwQIACgAAAADAgggKgAA AP8DAQYAYAAAAAICBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAAD AwEGQGgAAAADAwEGQGgAAAADAwERACAAAAABCwABAAECAAIDKAIDBCAEBSgC BQYgBgcoAgUIIAgJKAIJCgAKCwALDCgCCg0ADQ4ADg9oDA8QaAwQEWgMERJo DBITaAwTFCAPFSAVFigCFRcgDRgAGBkAGRpoDBobaAwbHGgMHB1oDB0eaAwC HwAGAQAMBCAUCSATDmgMHhloDEIFAAAABgEGBQQDAgcIBQQMCwoJBg8QERIT DgYUCQoNDhMGGhscHR4ZFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:38:53Z</structure-indexed-at> </compound>