17944 <common-name>Piretanide</common-name> <description nil="true"/> <cas>55837-27-9</cas> <pubchem-id>4849</pubchem-id> <chemical-formula>C17H18N2O5S</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">2016-05-22T03:45:08Z</created-at> <updated-at type="dateTime">2026-05-14T17:47:11Z</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>DB02925</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>NS(=O)(=O)C1=CC(=CC(N2CCCC2)=C1OC1=CC=CC=C1)C(O)=O</moldb-smiles> <moldb-formula>C17H18N2O5S</moldb-formula> <moldb-inchi>InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23)</moldb-inchi> <moldb-inchikey>UJEWTUDSLQGTOA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">362.4</moldb-average-mass> <moldb-mono-mass type="decimal">362.093642386</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.25</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4683</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>CHEM016839</chemdb-id> <dsstox-id>DTXSID2023488</dsstox-id> <toxcast-id>23488</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00004285</susdat-id> <iupac>4-phenoxy-3-(pyrrolidin-1-yl)-5-sulfamoylbenzoic acid</iupac> <moldb-polar-surface-area>109.93</moldb-polar-surface-area> <moldb-refractivity>93.68250000000002</moldb-refractivity> <moldb-polarizability>35.847205273350674</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>4.67541364054576</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-0.6197086963948472</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>2.20</moldb-alogps-logp> <moldb-alogps-logs>-3.60</moldb-alogps-logs> <moldb-alogps-solubility>9.14e-02 g/l</moldb-alogps-solubility> </compound>