346890 <common-name>2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-ethoxyphenyl)-4-methylidenepentane-1,5-dione</common-name> <description>2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-ethoxyphenyl)-4-methylidenepentane-1,5-dione is a chemical compound with the formula C27H33Cl2NO4. With an average molecular weight of 506.50 g/mol, 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-ethoxyphenyl)-4-methylidenepentane-1,5-dione is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>3063826</pubchem-id> <chemical-formula>C27H33Cl2NO4</chemical-formula> <weight>506.5</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">2026-08-31T10:26:52Z</created-at> <updated-at type="dateTime">2026-08-31T10:26:52Z</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>CCOC1=CC=C(C=C1)C(=O)C(CC(=C)C(=O)C2=CC=C(C=C2)OCC)CN(CCCl)CCCl</moldb-smiles> <moldb-formula>C27H33Cl2NO4</moldb-formula> <moldb-inchi>InChI=1S/C27H33Cl2NO4/c1-4-33-24-10-6-21(7-11-24)26(31)20(3)18-23(19-30(16-14-28)17-15-29)27(32)22-8-12-25(13-9-22)34-5-2/h6-13,23H,3-5,14-19H2,1-2H3</moldb-inchi> <moldb-inchikey>GAFNRQALKYWKKG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">505.1786639</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.7</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>CHEM342783</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>2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-ethoxyphenyl)-4-methylidenepentane-1,5-dione</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 oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0297238</sync-id> <structure-inchikey>GAFNRQALKYWKKG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000040080000200000000000000000000000000000000040a100000000002000000200000000000000020000100000000000000000000000000000000000000000000000000000000000020000000000100000200080000000000000000010000000000000000004000000000000010000000001000000000020800000040000000000004000000000000000000000000000000020020040000002000000000000000800200084000000000000000088000000000000000000000000000000000000000000000000000000010204000000000000200000000400000000000000000080044000000000400000001000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAiAAAAIwAAAIABBgBgAAAAAQMGAGAAAAAC AggAKAAAAAMCBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZA aAAAAAMDAQZAaAAAAAMDAQYAKAAAAAMECAAoAAAAAwIGAGAAAAADAQYAYAAA AAICBgAoAAAAAwQGAGgAAAADAgIGACgAAAADBAgAKAAAAAMCBkAoAAAAAwQG QGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQgA KAAAAAMCBgBgAAAAAgIGAGAAAAABAwYAYAAAAAICBwAgAAAAAwYAYAAAAAIC BgBgAAAAAgIRACAAAAABBgBgAAAAAgIGAGAAAAACAhEAIAAAAAELAAEAAQIA AgMgAwRoDAQFaAwFBmgMBgdoDAcIaAwGCSAJCigCCQsACwwADA0ADQ4oAg0P IA8QKAIPESAREmgMEhNoDBMUaAwUFWgMFRZoDBQXIBcYABgZAAsaABobABsc ABwdAB0eABsfAB8gACAhAAgDaAwWEWgMQgIAAAAGAwgHBgUEBhITFBUWERcE AAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:45:30Z</structure-indexed-at> </compound>