17943 <common-name>Pirenzepine</common-name> <description nil="true"/> <cas>28797-61-7</cas> <pubchem-id>4848</pubchem-id> <chemical-formula>C19H21N5O2</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">2016-05-22T03:45:07Z</created-at> <updated-at type="dateTime">2026-05-14T16:45:37Z</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>DB00670</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>CN1CCN(CC(=O)N2C3=CC=CC=C3C(=O)NC3=C2N=CC=C3)CC1</moldb-smiles> <moldb-formula>C19H21N5O2</moldb-formula> <moldb-inchi>InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)</moldb-inchi> <moldb-inchikey>RMHMFHUVIITRHF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">351.4023</moldb-average-mass> <moldb-mono-mass type="decimal">351.169524941</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.97</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4682</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>CHEM016838</chemdb-id> <dsstox-id>DTXSID7023487</dsstox-id> <toxcast-id>23487</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00006691</susdat-id> <iupac>2-[2-(4-methylpiperazin-1-yl)acetyl]-2,4,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one</iupac> <moldb-polar-surface-area>68.78</moldb-polar-surface-area> <moldb-refractivity>100.92570000000002</moldb-refractivity> <moldb-polarizability>37.112802132135535</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>9.574185364235227</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>7.592644342960564</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>1.26</moldb-alogps-logp> <moldb-alogps-logs>-2.71</moldb-alogps-logs> <moldb-alogps-solubility>6.82e-01 g/l</moldb-alogps-solubility> </compound>