44486 <common-name>amoxicillin metabolite</common-name> <description>Amoxicillin metabolite is an organoheterocyclic compound with the formula C16H19N3O5S and an average molecular weight of 365.40 g/mol. Amoxicillin metabolite belongs to the piperazines, a subclass of diazinanes within the organic compounds.</description> <cas>94659-47-9</cas> <pubchem-id>46780379</pubchem-id> <chemical-formula>C16H19N3O5S</chemical-formula> <weight nil="true"/> <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">2016-06-03T10:51:53Z</created-at> <updated-at type="dateTime">2026-03-26T23:51:15Z</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>CC1(C)SC(NC1C(O)=O)C1N=C(O)C(N=C1O)C1=CC=C(O)C=C1</moldb-smiles> <moldb-formula>C16H19N3O5S</moldb-formula> <moldb-inchi>InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-14(25-16)10-13(22)17-9(12(21)18-10)7-3-5-8(20)6-4-7/h3-6,9-11,14,19-20H,1-2H3,(H,17,22)(H,18,21)(H,23,24)</moldb-inchi> <moldb-inchikey>IIZCCQJEPBWGJU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">365.4</moldb-average-mass> <moldb-mono-mass type="decimal">365.104541898</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>27445349</chemspider-id> <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>CHEM043381</chemdb-id> <dsstox-id>DTXSID40675615</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>J.Chromatogr. A 1218 (2011) 8002-8012</stoff-ident-origin> <stoff-ident-id>SI00002279</stoff-ident-id> <susdat-id>NS00005680</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>134.74</moldb-polar-surface-area> <moldb-refractivity>90.42569999999999</moldb-refractivity> <moldb-polarizability>35.51499305308582</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>8</moldb-acceptor-count> <moldb-donor-count>5</moldb-donor-count> <moldb-pka-strongest-acidic>0.8989339964096619</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>7.269367245976108</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>0.66</moldb-alogps-logp> <moldb-alogps-logs>-3.39</moldb-alogps-logs> <moldb-alogps-solubility>1.48e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Diazinanes</klass> <subklass>Piperazines</subklass> <paper-count type="integer">10963</paper-count> <sync-id>CED0003014</sync-id> <structure-inchikey>IIZCCQJEPBWGJU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000000000004000080000000000000800000000000000000000000020000002004000000000000000000000040000000000000000000000000000010000000000020000010000000000000000840000200000000010000000000000000000000000000000200000000000000000001100000000048000000000000200000000400000800000000100001000000000021000000004000000000000000080000000000010000000000000000000000000000010000000000002004000010000000000000000000000000000200000020000010000000100000400040000040000400000002000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAZAAAAGwAAAIABBgBgAAAAAQMGACAAAAAE BgBgAAAAAQMQACAAAAACBgBgAAAAAwEHAGAAAAACAQYAYAAAAAMBBgAoAAAA AwQIAGgAAAADAQEIACgAAAADAgYAYAAAAAMBBwAoAAAAAwMGACgAAAADBAgA aAAAAAMBAQYAYAAAAAMBBwAoAAAAAwMGACgAAAADBAgAaAAAAAMBAQZAKAAA AAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQIAGgAAAADAQEGQGgAAAAD AwEGQGgAAAADAwELAAEAAQIAAQMAAwQABAUABQYABgcABwggBwkoAgQKAAoL AAsMKAIMDSAMDgAODwAPECgCEBEgDhIAEhNoDBMUaAwUFWgMFRYgFRdoDBcY aAwGAQAQCgAYEmgMQgMAAAAFAQMEBQYGCwwODxAKBhMUFRcYEhcEAAAAAAAA ABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:12:04Z</structure-indexed-at> </compound>