46800 <common-name>valethamate</common-name> <description nil="true"/> <cas>16376-74-2</cas> <pubchem-id>5648</pubchem-id> <chemical-formula>C19H32NO2</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">2016-06-03T13:35:46Z</created-at> <updated-at type="dateTime">2026-05-14T19:34:07Z</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>DB13497</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>CCC(C)C(C(=O)OCC[N+](C)(CC)CC)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C19H32NO2</moldb-formula> <moldb-inchi>InChI=1S/C19H32NO2/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3/h9-13,16,18H,6-8,14-15H2,1-5H3/q+1</moldb-inchi> <moldb-inchikey>UPPMZCXMQRVMME-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">306.469</moldb-average-mass> <moldb-mono-mass type="decimal">306.242755695</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.046</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>5446</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>CHEM045695</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>Arzneimittel (UBA)</stoff-ident-origin> <stoff-ident-id>SI00008776</stoff-ident-id> <susdat-id>NS00008564</susdat-id> <iupac>diethyl(methyl){2-[(3-methyl-2-phenylpentanoyl)oxy]ethyl}azanium</iupac> <moldb-polar-surface-area>26.3</moldb-polar-surface-area> <moldb-refractivity>103.88969999999999</moldb-refractivity> <moldb-polarizability>36.553409507405036</moldb-polarizability> <moldb-rotatable-bond-count>10</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-7.142750725179228</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>0.26</moldb-alogps-logp> <moldb-alogps-logs>-6.72</moldb-alogps-logs> <moldb-alogps-solubility>6.57e-05 g/l</moldb-alogps-solubility> </compound>