333133 <common-name>Diethyl-methyl-[2-(5-oxo-1-phenyl-2,3-dihydro-1,4-benzodiazepin-4-yl)ethyl]azanium</common-name> <description>Diethyl-methyl-[2-(5-oxo-1-phenyl-2,3-dihydro-1,4-benzodiazepin-4-yl)ethyl]azanium is a compound with the formula C22H30N3O+. It has an average molecular weight of 352.50 g/mol.</description> <cas nil="true"/> <pubchem-id>3050071</pubchem-id> <chemical-formula>C22H30N3O+</chemical-formula> <weight>352.5</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">2026-08-30T14:24:03Z</created-at> <updated-at type="dateTime">2026-08-30T14:24:03Z</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>CC[N+](C)(CC)CCN1CCN(C2=CC=CC=C2C1=O)C3=CC=CC=C3</moldb-smiles> <moldb-formula>C22H30N3O+</moldb-formula> <moldb-inchi>InChI=1S/C22H30N3O/c1-4-25(3,5-2)18-17-23-15-16-24(19-11-7-6-8-12-19)21-14-10-9-13-20(21)22(23)26/h6-14H,4-5,15-18H2,1-3H3/q+1</moldb-inchi> <moldb-inchikey>UYTCCACRSFLCPG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">352.2388876</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.6</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>CHEM329026</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>Diethyl-methyl-[2-(5-oxo-1-phenyl-2,3-dihydro-1,4-benzodiazepin-4-yl)ethyl]azanium</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>Organic nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Amines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0283618</sync-id> <structure-inchikey>UYTCCACRSFLCPG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000008000000000000000000000000000000000000000000030000200000000080000000040000020000000000000002800000000000002000000000000000000000080000200000000000000000200000000000000000000010000000000100000100000000400201000000200080c0000000000000004040000000c00000000000004000000000000100000000000000000000000100000000000000000000080000000000000000004000008000000000000000000000020000000000000080010000000000000000000000000200000000000000000040000400000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAaAAAAHAAAAIABBgBgAAAAAQMGAGAAAAAC AgcgIgAAAAEEBgBgAAAAAQMGAGAAAAACAgYAYAAAAAEDBgBgAAAAAgIGAGAA AAACAgcAKAAAAAMDBgBgAAAAAgIGAGAAAAACAgcAKAAAAAMDBkAoAAAAAwQG QGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAYA KAAAAAMECAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAA AAMDAQZAaAAAAAMDAQZAaAAAAAMDAQsAAQABAgACAwACBAAEBQACBgAGBwAH CAAICQAJCgAKCwALDCAMDWgMDQ5oDA4PaAwPEGgMEBFoDBESIBITKAILFCAU FWgMFRZoDBYXaAwXGGgMGBloDBIIIBEMaAwZFGgMQgMAAAAHCAkKCwwREgYN Dg8QEQwGFRYXGBkUFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:35:18Z</structure-indexed-at> </compound>