44545 <common-name>Methylthioninium</common-name> <description nil="true"/> <cas>61-73-4</cas> <pubchem-id>4139</pubchem-id> <chemical-formula>C16H18N3S</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">2016-06-03T10:54:25Z</created-at> <updated-at type="dateTime">2026-04-14T17:17:45Z</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>DB08167</drugbank-id> <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>CN(C)C1=CC2=[S+]C3=CC(=CC=C3N=C2C=C1)N(C)C</moldb-smiles> <moldb-formula>C16H18N3S</moldb-formula> <moldb-inchi>InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1</moldb-inchi> <moldb-inchikey>RBTBFTRPCNLSDE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">284.399</moldb-average-mass> <moldb-mono-mass type="decimal">284.122143281</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>3996</chemspider-id> <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>CHEM043440</chemdb-id> <dsstox-id>DTXSID3047009</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>COMMISSION REGULATION (EC) No 1451/2007 (ANNEX I)</stoff-ident-origin> <stoff-ident-id>SI00002382</stoff-ident-id> <susdat-id>NS00005759</susdat-id> <iupac>3,7-bis(dimethylamino)-5λ⁴-phenothiazin-5-ylium</iupac> </compound>