18963 <common-name>Amiloride</common-name> <description nil="true"/> <cas>2609-46-3</cas> <pubchem-id>16231</pubchem-id> <chemical-formula>C6H8ClN7O</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">2016-05-22T04:41:55Z</created-at> <updated-at type="dateTime">2026-05-14T16:43:22Z</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>DB00594</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>NC(N)=NC(=O)C1=C(N)N=C(N)C(Cl)=N1</moldb-smiles> <moldb-formula>C6H8ClN7O</moldb-formula> <moldb-inchi>InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)</moldb-inchi> <moldb-inchikey>XSDQTOBWRPYKKA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">229.627</moldb-average-mass> <moldb-mono-mass type="decimal">229.04788562</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>15403</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>CHEM017858</chemdb-id> <dsstox-id>DTXSID9043853</dsstox-id> <toxcast-id>43853</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00002250</susdat-id> <iupac>3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide</iupac> <moldb-polar-surface-area>159.29000000000002</moldb-polar-surface-area> <moldb-refractivity>56.688399999999994</moldb-refractivity> <moldb-polarizability>19.99291748770876</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>8</moldb-acceptor-count> <moldb-donor-count>4</moldb-donor-count> <moldb-pka-strongest-acidic>16.458863179588512</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>3.2857540348413337</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>-0.72</moldb-alogps-logp> <moldb-alogps-logs>-2.27</moldb-alogps-logs> <moldb-alogps-solubility>1.22e+00 g/l</moldb-alogps-solubility> </compound>