45025 <common-name>Profenamine</common-name> <description nil="true"/> <cas>522-00-9</cas> <pubchem-id>3290</pubchem-id> <chemical-formula>C19H24N2S</chemical-formula> <weight>312.5</weight> <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">2016-06-03T11:26:29Z</created-at> <updated-at type="dateTime">2026-08-20T03:52:06Z</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>DB00392</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>CCN(CC)C(C)CN1C2=CC=CC=C2SC2=CC=CC=C12</moldb-smiles> <moldb-formula>C19H24N2S</moldb-formula> <moldb-inchi>InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3</moldb-inchi> <moldb-inchikey>CDOZDBSBBXSXLB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">312.472</moldb-average-mass> <moldb-mono-mass type="decimal">312.166019468</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>3174</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>CHEM043920</chemdb-id> <dsstox-id>DTXSID2023018</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>Zweckverband Landeswasserversorgung Langenau</stoff-ident-origin> <stoff-ident-id>SI00004265</stoff-ident-id> <susdat-id>NS00006829</susdat-id> <iupac>diethyl[1-(10H-phenothiazin-10-yl)propan-2-yl]amine</iupac> <moldb-polar-surface-area>6.48</moldb-polar-surface-area> <moldb-refractivity>98.00210000000004</moldb-refractivity> <moldb-polarizability>36.340232624884834</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>9.600902231194752</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>5.75</moldb-alogps-logp> <moldb-alogps-logs>-4.78</moldb-alogps-logs> <moldb-alogps-solubility>5.24e-03 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Benzothiazines</klass> <subklass>Phenothiazines</subklass> <paper-count type="integer">58</paper-count> <sync-id>CED0022461</sync-id> </compound>