290521 <common-name>8-bromo-7-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione</common-name> <description>8-bromo-7-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It has the formula C14H11BrN4O5 and an average molecular weight of 395.16 g/mol. This substance is further classified as an organic oxygen compound.</description> <cas>101072-13-3</cas> <pubchem-id>3063551</pubchem-id> <chemical-formula>C14H11BrN4O5</chemical-formula> <weight>395.16</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">2026-08-28T04:15:18Z</created-at> <updated-at type="dateTime">2026-08-28T04:15:18Z</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 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>CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)C3=CC(=C(C=C3)O)O</moldb-smiles> <moldb-formula>C14H11BrN4O5</moldb-formula> <moldb-inchi>InChI=1S/C14H11BrN4O5/c1-18-11-10(12(23)17-14(18)24)19(13(15)16-11)5-9(22)6-2-3-7(20)8(21)4-6/h2-4,20-21H,5H2,1H3,(H,17,23,24)</moldb-inchi> <moldb-inchikey>QPDOTAVAZRSBRD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">393.99128</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>CHEM286414</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>8-bromo-7-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-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>CED0242142</sync-id> <structure-inchikey>QPDOTAVAZRSBRD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000400000000000000000000000000000000000000008000003000000000000000200000000000000000000000000000040000000000000008000004000000000000002000000100000000040080000202000000000021000000000000000010000000000000010000000000000000000000040000004000000000000020000000400000001000000000000000000000000000000000800000000000000008400000000000008040000410000000000000000000000000008000210020010000000000000004c000000000004200000000000000000000000081001044000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAYAAAAGgAAAIABBgBgAAAAAQMHQCgAAAAD AwZAKAAAAAMEBkAoAAAAAwQGQCgAAAADBAgAKAAAAAMCB0A4AAAAAwEDBkAo AAAAAwQIACgAAAADAgdAKAAAAAMDBkAoAAAAAwQHQCgAAAADAyMAIAAAAAEG AGAAAAACAgYAKAAAAAMECAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZAKAAA AAMEBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEIAGgAAAADAQEIAGgAAAAD AQELAAEAAQJoDAIDaAwDBGgMBAUoAgQGaAwGB2gMBwgoAgMJaAwJCmgMCgto DAoMAAkNAA0OAA4PKAIOECAQEWgMERJoDBITaAwTFGgMFBVoDBMWIBIXIAcB aAwLAmgMFRBoDEIDAAAABgEHBgQDAgUKCQMCCwYREhMUFRAXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:03:07Z</structure-indexed-at> </compound>