20134 <common-name>Fenpiverinium bromide</common-name> <description nil="true"/> <cas>125-60-0</cas> <pubchem-id nil="true"/> <chemical-formula>C22H29BrN2O</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">2016-05-22T05:46:01Z</created-at> <updated-at type="dateTime">2026-04-05T17:31:55Z</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>Br.C[N+]1(CCC(C([O-])=N)(C2=CC=CC=C2)C2=CC=CC=C2)CCCCC1</moldb-smiles> <moldb-formula>C22H29BrN2O</moldb-formula> <moldb-inchi>InChI=1S/C22H28N2O.BrH/c1-24(16-9-4-10-17-24)18-15-22(21(23)25,19-11-5-2-6-12-19)20-13-7-3-8-14-20;/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3,(H-,23,25);1H</moldb-inchi> <moldb-inchikey>PMAHPMMCPXYARU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">417.391</moldb-average-mass> <moldb-mono-mass type="decimal">416.146327</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>CHEM019029</chemdb-id> <dsstox-id>DTXSID0046484</dsstox-id> <toxcast-id>46484</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00079181</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>46.91</moldb-polar-surface-area> <moldb-refractivity>146.6517</moldb-refractivity> <moldb-polarizability>38.681170998018395</moldb-polarizability> <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>-1.695658344504543</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>13.019753664506775</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>0.77</moldb-alogps-logp> <moldb-alogps-logs>-7.36</moldb-alogps-logs> <moldb-alogps-solubility>1.69e-05 g/l</moldb-alogps-solubility> </compound>