312390 <common-name>1-(4-propan-2-ylsulfonylphenyl)-3,4-dihydroisoquinoline-6,7-diol</common-name> <description>1-(4-propan-2-ylsulfonylphenyl)-3,4-dihydroisoquinoline-6,7-diol is a chemical compound with the formula C18H19NO4S. It has an average molecular weight of 345.40 g/mol.</description> <cas nil="true"/> <pubchem-id>210049</pubchem-id> <chemical-formula>C18H19NO4S</chemical-formula> <weight>345.4</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">2026-08-29T08:48:23Z</created-at> <updated-at type="dateTime">2026-08-29T08:48:23Z</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>CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=NCCC3=CC(=C(C=C32)O)O</moldb-smiles> <moldb-formula>C18H19NO4S</moldb-formula> <moldb-inchi>InChI=1S/C18H19NO4S/c1-11(2)24(22,23)14-5-3-12(4-6-14)18-15-10-17(21)16(20)9-13(15)7-8-19-18/h3-6,9-11,20-21H,7-8H2,1-2H3</moldb-inchi> <moldb-inchikey>YFMVPWZNSUZEOP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">345.1034793</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.6</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>CHEM308283</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>1-(4-propan-2-ylsulfonylphenyl)-3,4-dihydroisoquinoline-6,7-diol</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>Organoheterocyclic compounds</superklass> <klass>Dihydroisoquinolines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0263326</sync-id> <structure-inchikey>YFMVPWZNSUZEOP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000010000000000000000000000000000000000000000000000000000000000100001000000041000000028000002000000000000000000000000000000000000000000000000000040000000000000020080000000040001008010000000000000000010000400000100000104000800000220008000000004000000000000000000040000000000000000000000000800000000000000000080000000000000000000004000000080000080000000000000000000000080000000000000000000000100000002100000000000000000000000000000000200200040000000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAYAAAAGgAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDEAAgAAAABggAKAAAAAMCCAAoAAAAAwIGQCgAAAADBAZAaAAA AAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBgAoAAAA AwQHACgAAAADAwYAYAAAAAICBgBgAAAAAgIGQCgAAAADBAZAaAAAAAMDAQZA KAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAgAaAAAAAMBAQgAaAAA AAMBAQsAAQABAgABAwADBAgCAwUIAgMGAAYHaAwHCGgMCAloDAkKaAwKC2gM CQwgDA0oAg0OAA4PAA8QABARaAwREmgMEhNoDBMUaAwUFWgMExYgEhcgCwZo DBUMIBUQaAxCAwAAAAYGCwoJCAcGDQ4PEBUMBhESExQVEBcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:19:21Z</structure-indexed-at> </compound>