302782 <common-name>2-[(e)-(2,5-dimethyl-4,4-dioxopyrazolo[3,4-c][2,1]benzothiazepin-10-ylidene)amino]oxy-n,n-dimethylethanamine</common-name> <description>2-[(e)-(2,5-dimethyl-4,4-dioxopyrazolo[3,4-c][2,1]benzothiazepin-10-ylidene)amino]oxy-n,n-dimethylethanamine belongs to the benzenoids, a superclass within the organic compounds. This compound has the formula C16H21N5O3S and an average molecular weight of 363.40 g/mol.</description> <cas nil="true"/> <pubchem-id>9588969</pubchem-id> <chemical-formula>C16H21N5O3S</chemical-formula> <weight>363.4</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">2026-08-28T19:51:55Z</created-at> <updated-at type="dateTime">2026-08-28T19:51:55Z</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>CN1C=C2C(=NOCCN(C)C)C3=CC=CC=C3N(S(=O)(=O)C2=N1)C</moldb-smiles> <moldb-formula>C16H21N5O3S</moldb-formula> <moldb-inchi>InChI=1S/C16H21N5O3S/c1-19(2)9-10-24-18-15-12-7-5-6-8-14(12)21(4)25(22,23)16-13(15)11-20(3)17-16/h5-8,11H,9-10H2,1-4H3/b18-15+</moldb-inchi> <moldb-inchikey>CPULWKFXBXJKPB-OBGWFSINSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">363.1365107</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.4</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>CHEM298675</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-[(e)-(2,5-dimethyl-4,4-dioxopyrazolo[3,4-c][2,1]benzothiazepin-10-ylidene)amino]oxy-n,n-dimethylethanamine</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>Benzenoids</superklass> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0253992</sync-id> <structure-inchikey>CPULWKFXBXJKPB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800000000000000000000000000010010000000000000000000000000000000000008000002000000000001000000000840000000001000000000400000000000000000000000128000040000500000804000000000000000000000800000000200040004000800000020100000000000082000000001040000040000000800000000000004000100000000100000000000000040000000120000000000000000100080000000000000000000000000000000000000000000000000000100000000000010000000000000000000000000200200000000000000000000000000040000000000000000001090000000000000000000000</structure-fingerprint> 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