103039 <common-name>Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate</common-name> <description>Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate belongs to the alkaloids and derivatives, a superclass within the organic compounds. It has the chemical formula C14H17NO3 and an average molecular weight of 247.29 g/mol.</description> <cas>97692-42-7</cas> <pubchem-id>54682501</pubchem-id> <chemical-formula>C14H17NO3</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">2026-04-05T10:13:37Z</created-at> <updated-at type="dateTime">2026-04-05T10:13:37Z</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>COC(=O)C1=C(O)CCN(CC2=CC=CC=C2)C1</moldb-smiles> <moldb-formula>C14H17NO3</moldb-formula> <moldb-inchi>InChI=1/C14H17NO3/c1-18-14(17)12-10-15(8-7-13(12)16)9-11-5-3-2-4-6-11/h2-6,16H,7-10H2,1H3</moldb-inchi> <moldb-inchikey>NIOZGZNXEHVZNI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">247.294</moldb-average-mass> <moldb-mono-mass type="decimal">247.1208434</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM098932</chemdb-id> <dsstox-id>DTXSID30243125</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00066595</susdat-id> <iupac nil="true"/> <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>Alkaloids and derivatives</superklass> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0131542</sync-id> <structure-inchikey>NIOZGZNXEHVZNI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800001000000000040000000008000000000000000000000000800000000000000000000000004000000000000000000000000000000000000000000000000000000000000000020000000000100000000000000000000000000010000800040000000000000002000020100000000000000000000000008000040200000800000000000100090000004000100000000000000000000000000000000000000000000080000000000000000000000008000000000020000000000000000002000000000000000000010000000000000200220041000010000000000000000000040000000000400000020000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEwAAAIABBgBgAAAAAQMIACgAAAAD AgYAKAAAAAMECAAoAAAAAwIGACgAAAADBAYAKAAAAAMECABoAAAAAwEBBgBg AAAAAgIGAGAAAAACAgcAIAAAAAMGAGAAAAACAgZAKAAAAAMEBkBoAAAAAwMB BkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBgBgAAAAAgIL AAEAAQIgAgMoAgIEIAQFKAIFBiAFBwAHCAAICQAJCgAKCwALDGgMDA1oDA0O aAwOD2gMDxBoDAkRABEEABALaAxCAgAAAAYEEQkIBwUGDA0ODxALFwQAAAAA AAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:40:46Z</structure-indexed-at> </compound>