23425 <common-name>Pivmecillinam</common-name> <description nil="true"/> <cas>32886-97-8</cas> <pubchem-id>115163</pubchem-id> <chemical-formula>C21H33N3O5S</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">2016-05-25T18:28:09Z</created-at> <updated-at type="dateTime">2026-05-14T17:10:26Z</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>DB01605</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>[H]\C(=N/[C@]1([H])C(=O)N2[C@]1([H])SC(C)(C)[C@]2([H])C(=O)OCOC(=O)C(C)(C)C)N1CCCCCC1</moldb-smiles> <moldb-formula>C21H33N3O5S</moldb-formula> <moldb-inchi>InChI=1S/C21H33N3O5S/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h12,14-15,17H,6-11,13H2,1-5H3/b22-12+/t14-,15+,17-/m1/s1</moldb-inchi> <moldb-inchikey>NPGNOVNWUSPMDP-UTEPHESZSA-N</moldb-inchikey> <moldb-average-mass type="decimal">439.57</moldb-average-mass> <moldb-mono-mass type="decimal">439.214092349</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.91</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>16735658</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>CHEM022320</chemdb-id> <dsstox-id>DTXSID7048538</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00001967</susdat-id> <iupac>[(2S,5R,6R)-6-{[(azepan-1-yl)methylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyloxy]methyl 2,2-dimethylpropanoate</iupac> <moldb-polar-surface-area>88.51</moldb-polar-surface-area> <moldb-refractivity>113.03169999999997</moldb-refractivity> <moldb-polarizability>47.75078857136279</moldb-polarizability> <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>13.660257128507617</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>7.914073683805415</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>3.23</moldb-alogps-logp> <moldb-alogps-logs>-3.92</moldb-alogps-logs> <moldb-alogps-solubility>5.26e-02 g/l</moldb-alogps-solubility> </compound>