19479 <common-name>Dorzolamide hydrochloride</common-name> <description nil="true"/> <cas>130693-82-2</cas> <pubchem-id nil="true"/> <chemical-formula>C10H17ClN2O4S3</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">2016-05-22T05:11:49Z</created-at> <updated-at type="dateTime">2016-11-09T01:15:47Z</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 nil="true"/> <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>Cl.[H][C@]1(C)C[C@]([H])(NCC)C2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O</moldb-smiles> <moldb-formula>C10H17ClN2O4S3</moldb-formula> <moldb-inchi>InChI=1S/C10H16N2O4S3.ClH/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16;/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16);1H/t6-,8-;/m0./s1</moldb-inchi> <moldb-inchikey>OSRUSFPMRGDLAG-QMGYSKNISA-N</moldb-inchikey> <moldb-average-mass type="decimal">360.89</moldb-average-mass> <moldb-mono-mass type="decimal">360.0038983</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM018374</chemdb-id> <dsstox-id>DTXSID1045530</dsstox-id> <toxcast-id>45530</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac nil="true"/> <moldb-polar-surface-area>106.32999999999998</moldb-polar-surface-area> <moldb-refractivity>72.46109999999999</moldb-refractivity> <moldb-polarizability>31.624826327116843</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>8.159008311328709</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>6.875389582025971</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>-0.50</moldb-alogps-logp> <moldb-alogps-logs>-2.67</moldb-alogps-logs> <moldb-alogps-solubility>6.99e-01 g/l</moldb-alogps-solubility> </compound>