23318 <common-name>Cyclopentolate</common-name> <description nil="true"/> <cas>512-15-2</cas> <pubchem-id>2905</pubchem-id> <chemical-formula>C17H25NO3</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">2016-05-25T18:24:06Z</created-at> <updated-at type="dateTime">2026-05-14T16:54:45Z</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>DB00979</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>CN(C)CCOC(=O)C(C1=CC=CC=C1)C1(O)CCCC1</moldb-smiles> <moldb-formula>C17H25NO3</moldb-formula> <moldb-inchi>InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3</moldb-inchi> <moldb-inchikey>SKYSRIRYMSLOIN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">291.3853</moldb-average-mass> <moldb-mono-mass type="decimal">291.183443671</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.32</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2802</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>CHEM022213</chemdb-id> <dsstox-id>DTXSID3048528</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00009832</susdat-id> <iupac>2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate</iupac> <moldb-polar-surface-area>49.77</moldb-polar-surface-area> <moldb-refractivity>82.8058</moldb-refractivity> <moldb-polarizability>32.505860790618726</moldb-polarizability> <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>14.186929918180127</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>8.418048758319856</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>2.09</moldb-alogps-logp> <moldb-alogps-logs>-2.29</moldb-alogps-logs> <moldb-alogps-solubility>1.50e+00 g/l</moldb-alogps-solubility> </compound>