45068 <common-name>lasofoxifene</common-name> <description nil="true"/> <cas>180916-16-9</cas> <pubchem-id>216416</pubchem-id> <chemical-formula>C28H31NO2</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">2016-06-03T11:29:24Z</created-at> <updated-at type="dateTime">2026-05-14T18:18:33Z</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>DB06202</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>[H][C@@]1(CCC2=CC(O)=CC=C2[C@@]1([H])C1=CC=C(OCCN2CCCC2)C=C1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C28H31NO2</moldb-formula> <moldb-inchi>InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1</moldb-inchi> <moldb-inchikey>GXESHMAMLJKROZ-IAPPQJPRSA-N</moldb-inchikey> <moldb-average-mass type="decimal">413.5512</moldb-average-mass> <moldb-mono-mass type="decimal">413.235479241</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.97</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>187585</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>CHEM043963</chemdb-id> <dsstox-id>DTXSID50171037</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>UBA</stoff-ident-origin> <stoff-ident-id>SI00004458</stoff-ident-id> <susdat-id>NS00007417</susdat-id> <iupac>(5R,6S)-6-phenyl-5-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,6,7,8-tetrahydronaphthalen-2-ol</iupac> <moldb-polar-surface-area>32.7</moldb-polar-surface-area> <moldb-refractivity>126.83159999999995</moldb-refractivity> <moldb-polarizability>47.58383551484508</moldb-polarizability> <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>10.211830591499814</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>8.978610620958673</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>5</moldb-number-of-rings> <moldb-alogps-logp>6.36</moldb-alogps-logp> <moldb-alogps-logs>-6.02</moldb-alogps-logs> <moldb-alogps-solubility>3.98e-04 g/l</moldb-alogps-solubility> </compound>