328253 <common-name>2-[4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]-1,4-diazepan-1-yl]ethanol</common-name> <description>2-[4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]-1,4-diazepan-1-yl]ethanol is a chemical compound with the formula C21H27ClN4OS. It has an average molecular weight of 419.00 g/mol.</description> <cas nil="true"/> <pubchem-id>209403</pubchem-id> <chemical-formula>C21H27ClN4OS</chemical-formula> <weight>419</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">2026-08-30T08:05:48Z</created-at> <updated-at type="dateTime">2026-08-30T08:05:48Z</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>C1CN(CCN(C1)CCO)CCCN2C3=CC=CC=C3SC4=C2N=CC(=C4)Cl</moldb-smiles> <moldb-formula>C21H27ClN4OS</moldb-formula> <moldb-inchi>InChI=1S/C21H27ClN4OS/c22-17-15-20-21(23-16-17)26(18-5-1-2-6-19(18)28-20)10-4-9-24-7-3-8-25(12-11-24)13-14-27/h1-2,5-6,15-16,27H,3-4,7-14H2</moldb-inchi> <moldb-inchikey>SRELLGGPDFUPGU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">418.1594104</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM324146</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>2-[4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]-1,4-diazepan-1-yl]ethanol</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>Organic nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Amines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0278845</sync-id> <structure-inchikey>SRELLGGPDFUPGU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2080100000010020000000000000000004008200000000000000000000000000000000000000200004001000000000000000400000000000000000000040000008000000000000000400001000000000000000000000000000000009000000000000000011000000000402010004000000000000000000080000000000001080000000000000400001000000010000400000000000000000010000000000000000000008000001000200000008000200a000000000000100000000002040000000000000010000000010000000000000000200000000010000000000000000000040000000010000000000000000000000000000000208</structure-fingerprint> 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