20336 <common-name>Tiquizium bromide</common-name> <description nil="true"/> <cas>71731-58-3</cas> <pubchem-id nil="true"/> <chemical-formula>C19H24BrNS2</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">2016-05-22T05:56:09Z</created-at> <updated-at type="dateTime">2026-04-06T14:04:08Z</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-].[H][C@]12CCCC[N@+]1(C)CC(CC2)=C(C1=CC=CS1)C1=CC=CS1</moldb-smiles> <moldb-formula>C19H24BrNS2</moldb-formula> <moldb-inchi>InChI=1S/C19H24NS2.BrH/c1-20-11-3-2-6-16(20)10-9-15(14-20)19(17-7-4-12-21-17)18-8-5-13-22-18;/h4-5,7-8,12-13,16H,2-3,6,9-11,14H2,1H3;1H/q+1;/p-1/t16-,20-;/m1./s1</moldb-inchi> <moldb-inchikey>VKBNGRDAHSELMQ-KYSFMIDTSA-M</moldb-inchikey> <moldb-average-mass type="decimal">410.43</moldb-average-mass> <moldb-mono-mass type="decimal">409.053355</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM019231</chemdb-id> <dsstox-id>DTXSID2046757</dsstox-id> <toxcast-id>46757</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00127187</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>0.0</moldb-polar-surface-area> <moldb-refractivity>117.12899999999999</moldb-refractivity> <moldb-polarizability>37.78493024073464</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>0</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>1.09</moldb-alogps-logp> <moldb-alogps-logs>-5.08</moldb-alogps-logs> <moldb-alogps-solubility>3.41e-03 g/l</moldb-alogps-solubility> <kingdom nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> </compound>