92507 <common-name>2-Hydroxyethyl 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate</common-name> <description>2-Hydroxyethyl 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This organic acid and derivative has the chemical formula C11H14N4O5 and an average molecular weight of 282.26 g/mol.</description> <cas>61379-38-2</cas> <pubchem-id>11778508</pubchem-id> <chemical-formula>C11H14N4O5</chemical-formula> <weight>282.25</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">2026-04-05T01:36:13Z</created-at> <updated-at type="dateTime">2026-08-18T10:29:05Z</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(N(CC(=O)OCCO)C=N2)C(=O)N(C)C1=O</moldb-smiles> <moldb-formula>C11H14N4O5</moldb-formula> <moldb-inchi>InChI=1/C11H14N4O5/c1-13-9-8(10(18)14(2)11(13)19)15(6-12-9)5-7(17)20-4-3-16/h6,16H,3-5H2,1-2H3</moldb-inchi> <moldb-inchikey>BSHFGYOWIYPMDN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">282.256</moldb-average-mass> <moldb-mono-mass type="decimal">282.0964195</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1.1</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>CHEM088400</chemdb-id> <dsstox-id>DTXSID40976912</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00053936</susdat-id> <iupac>2-hydroxyethyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate</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 acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0114488</sync-id> <structure-inchikey>BSHFGYOWIYPMDN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000400000000000800000000000000010000000100000000002000000000000000000000020000000000000002000008000000000000000004000000080000000000000080000000000000000000020000000010100000000000000000010000000010000000000004000000000000000000900000000000000000000008020000040000000000000000000004000000000000010800000000000200000000000108000000000000041082000000000000088090000000000000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAUAAAAFQAAAIABBgBgAAAAAQMHQCgAAAAD AwZAKAAAAAMEBkAoAAAAAwQHQCgAAAADAwYAYAAAAAICBgAoAAAAAwQIACgA AAADAggAKAAAAAMCBgBgAAAAAgIGAGAAAAACAggAYAAAAAEBBkBoAAAAAwMB B0AoAAAAAwMGQCgAAAADBAgAKAAAAAMCB0AoAAAAAwMGAGAAAAABAwZAKAAA AAMECAAoAAAAAwILAAEAAQJoDAIDaAwDBGgMBAUABQYABgcoAgYIIAgJAAkK AAoLAAQMaAwMDWgMAw5oDA4PKAIOEGgMEBEAEBJoDBITKAISAWgMDQJoDEIC AAAABgESEA4DAgUEAwINDBcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:34:34Z</structure-indexed-at> </compound>