17858 <common-name>Lansoprazole</common-name> <description nil="true"/> <cas>103577-45-3</cas> <pubchem-id>3883</pubchem-id> <chemical-formula>C16H14F3N3O2S</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">2016-05-22T03:42:42Z</created-at> <updated-at type="dateTime">2026-05-14T16:39:07Z</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>DB00448</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>CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)C1=NC2=CC=CC=C2N1</moldb-smiles> <moldb-formula>C16H14F3N3O2S</moldb-formula> <moldb-inchi>InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)</moldb-inchi> <moldb-inchikey>MJIHNNLFOKEZEW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">369.361</moldb-average-mass> <moldb-mono-mass type="decimal">369.075882012</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.03</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>3746</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>CHEM016753</chemdb-id> <dsstox-id>DTXSID4023200</dsstox-id> <toxcast-id>23200</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00000543</susdat-id> <iupac>2-{[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanesulfinyl}-1H-1,3-benzodiazole</iupac> <moldb-polar-surface-area>67.87</moldb-polar-surface-area> <moldb-refractivity>87.608</moldb-refractivity> <moldb-polarizability>34.59069533683166</moldb-polarizability> <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>9.346710249119909</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>4.162938764258435</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>2.84</moldb-alogps-logp> <moldb-alogps-logs>-3.17</moldb-alogps-logs> <moldb-alogps-solubility>2.50e-01 g/l</moldb-alogps-solubility> </compound>