350811 <common-name>N-[3-(octoxymethyl)isoquinolin-6-yl]-4,4a,5,10-tetrahydro-3h-[1,3]thiazino[3,4-b]isoquinolin-1-imine</common-name> <description>N-[3-(octoxymethyl)isoquinolin-6-yl]-4,4a,5,10-tetrahydro-3h-[1,3]thiazino[3,4-b]isoquinolin-1-imine is a chemical compound with the formula C30H37N3OS. It has an average molecular weight of 487.70 g/mol.</description> <cas>77195-30-3</cas> <pubchem-id>3059762</pubchem-id> <chemical-formula>C30H37N3OS</chemical-formula> <weight>487.7</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">2026-08-31T16:06:47Z</created-at> <updated-at type="dateTime">2026-08-31T16:06:47Z</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>CCCCCCCCOCC1=NC=C2C=CC(=CC2=C1)N=C3N4CC5=CC=CC=C5CC4CCS3</moldb-smiles> <moldb-formula>C30H37N3OS</moldb-formula> <moldb-inchi>InChI=1S/C30H37N3OS/c1-2-3-4-5-6-9-15-34-22-28-18-26-17-27(13-12-24(26)20-31-28)32-30-33-21-25-11-8-7-10-23(25)19-29(33)14-16-35-30/h7-8,10-13,17-18,20,29H,2-6,9,14-16,19,21-22H2,1H3</moldb-inchi> <moldb-inchikey>HSUNNJQXBCFXHN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">487.265734</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.5</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>CHEM346704</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>N-[3-(octoxymethyl)isoquinolin-6-yl]-4,4a,5,10-tetrahydro-3h-[1,3]thiazino[3,4-b]isoquinolin-1-imine</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>Quinolines and derivatives</klass> <subklass>Aminoquinolines and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0301115</sync-id> <structure-inchikey>HSUNNJQXBCFXHN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000080040000000000000004000000000030000001000000000000000200000000000000000000200000000000000000000000000000000000000000000000000001080000000880000000001008010000040c00004000002000042000000000000000000010000000000042810000000020000000000010000000004000000080000000000003000000000000010000000008004400000000008004000400000000000008000000002000000c480000000000000000010100000000000000000000000008000000000000000008000000000200000040000000010000000003000040000000030040040020000000000080000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAjAAAAJwAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAA AAACAggAIAAAAAIGAGAAAAACAgZAKAAAAAMEB0AoAAAAAwMGQGgAAAADAwEG QCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkAo AAAAAwQGQGgAAAADAwEHACgAAAADAwYAKAAAAAMEBwAoAAAAAwMGAGAAAAAC AgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMB BkAoAAAAAwQGAGAAAAACAgYAYAAAAAMBBgBgAAAAAgIGAGAAAAACAhAAIAAA AAILAAEAAQIAAgMAAwQABAUABQYABgcABwgACAkACQoACgtoDAsMaAwMDWgM DQ5oDA4PaAwPEGgMEBFoDBESaAwSE2gMEBQgFBUoAhUWIBYXABcYABgZaAwZ GmgMGhtoDBscaAwcHWgMHR4AHh8AHyAAICEAISIAEwpoDBINaAwiFQAfFgAd GGgMQgUAAAAGChMSDQwLBg4PEBESDQYXGB0eHxYGGRobHB0YBiAhIhUWHxcE AAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:48:47Z</structure-indexed-at> </compound>