95323 <common-name>2-Acetyl-1,2,3,4-tetrahydro-6-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-7-methoxyisoquinoline</common-name> <description>2-Acetyl-1,2,3,4-tetrahydro-6-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-7-methoxyisoquinoline belongs to the tetrahydroisoquinolines, a class of organoheterocyclic compounds within the organic compounds. This compound has the formula C18H28N2O4 and an average molecular weight of 336.43 g/mol.</description> <cas>59839-39-3</cas> <pubchem-id>108396</pubchem-id> <chemical-formula>C18H28N2O4</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">2026-04-05T03:18:23Z</created-at> <updated-at type="dateTime">2026-04-05T03:18:23Z</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>COC1=C(OCC(O)CNC(C)C)C=C2CCN(CC2=C1)C(C)=O</moldb-smiles> <moldb-formula>C18H28N2O4</moldb-formula> <moldb-inchi>InChI=1/C18H28N2O4/c1-12(2)19-9-16(22)11-24-18-7-14-5-6-20(13(3)21)10-15(14)8-17(18)23-4/h7-8,12,16,19,22H,5-6,9-11H2,1-4H3</moldb-inchi> <moldb-inchikey>BMVPUDSSHJZURY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">336.432</moldb-average-mass> <moldb-mono-mass type="decimal">336.2049074</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>CHEM091216</chemdb-id> <dsstox-id>DTXSID90975238</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00057280</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>Organoheterocyclic compounds</superklass> <klass>Tetrahydroisoquinolines</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0114515</sync-id> <structure-inchikey>BMVPUDSSHJZURY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000200000000000040000020000000100000400000001000000000000000000000000000000000000200000000000000000000080200000000000400000002000000000020200000000100000000000010000000020000010000000040000000100000000000020100000000000000000000400800000040000000000000000000000080000000000000000000080400000000000008000001000000400000080000000000000000080000008000000000000080000000020000000000000000000000004000000000000000200000000000000000000000010000000040008000000400000020000020000000004000020200</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAYAAAAGQAAAIABBgBgAAAAAQMIACgAAAAD AgZAKAAAAAMEBkAoAAAAAwQIACgAAAADAgYAYAAAAAICBgBgAAAAAwEIAGAA AAABAQYAYAAAAAICBwBgAAAAAgEGAGAAAAADAQYAYAAAAAEDBgBgAAAAAQMG QGgAAAADAwEGQCgAAAADBAYAYAAAAAICBgBgAAAAAgIHACgAAAADAwYAYAAA AAICBkAoAAAAAwQGQGgAAAADAwEGACgAAAADBAYAYAAAAAEDCAAoAAAAAwIL AAEAAQIgAgNoDAMEIAQFAAUGAAYHAAYIAAgJAAkKAAoLAAoMAAMNaAwNDmgM Dg8ADxAAEBEAERIAEhMAExRoDBEVIBUWABUXKAIUAmgMEw5oDEICAAAABgIU Ew4NAwYPEBESEw4XBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:36:20Z</structure-indexed-at> </compound>