20046 <common-name>Otilonium bromide</common-name> <description nil="true"/> <cas>26095-59-0</cas> <pubchem-id>72093</pubchem-id> <chemical-formula>C29H43BrN2O4</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">2016-05-22T05:41:12Z</created-at> <updated-at type="dateTime">2026-04-04T23:50:29Z</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>Br.CCCCCCCCOC1=CC=CC=C1C(=O)N=C1C=CC(C=C1)=C([O-])OCC[N+](C)(CC)CC</moldb-smiles> <moldb-formula>C29H43BrN2O4</moldb-formula> <moldb-inchi>InChI=1S/C29H42N2O4.BrH/c1-5-8-9-10-11-14-22-34-27-16-13-12-15-26(27)28(32)30-25-19-17-24(18-20-25)29(33)35-23-21-31(4,6-2)7-3;/h12-13,15-20H,5-11,14,21-23H2,1-4H3;1H</moldb-inchi> <moldb-inchikey>VWZPIJGXYWHBOW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">563.577</moldb-average-mass> <moldb-mono-mass type="decimal">562.240621</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>65077</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>CHEM018941</chemdb-id> <dsstox-id>DTXSID0046357</dsstox-id> <toxcast-id>46357</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00050510</susdat-id> <iupac>hydrobromide {2-[diethyl(methyl)azaniumyl]ethoxy}(4-{[2-(octyloxy)benzoyl]imino}cyclohexa-2,5-dien-1-ylidene)methanolate</iupac> </compound>