45720 <common-name>propan-2-yl [(4R,6R)-6-{2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate</common-name> <description nil="true"/> <cas>1112262-71-1</cas> <pubchem-id>56949544</pubchem-id> <chemical-formula>C39H45FN2O5</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">2016-06-03T12:25:18Z</created-at> <updated-at type="dateTime">2026-03-26T20:55:57Z</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>[H][C@@]1(CCN2C(C(C)C)=C(C(O)=NC3=CC=CC=C3)C(=C2C2=CC=C(F)C=C2)C2=CC=CC=C2)C[C@]([H])(CC(=O)OC(C)C)OC(C)(C)O1</moldb-smiles> <moldb-formula>C39H45FN2O5</moldb-formula> <moldb-inchi>InChI=1S/C39H45FN2O5/c1-25(2)36-35(38(44)41-30-15-11-8-12-16-30)34(27-13-9-7-10-14-27)37(28-17-19-29(40)20-18-28)42(36)22-21-31-23-32(47-39(5,6)46-31)24-33(43)45-26(3)4/h7-20,25-26,31-32H,21-24H2,1-6H3,(H,41,44)/t31-,32-/m1/s1</moldb-inchi> <moldb-inchikey>PMUDRANUCKOQOE-ROJLCIKYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">640.796</moldb-average-mass> <moldb-mono-mass type="decimal">640.33125072</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>57581282</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>CHEM044615</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006590</stoff-ident-id> <susdat-id>NS00003357</susdat-id> <iupac>1-{2-[(4R,6R)-2,2-dimethyl-6-[2-oxo-2-(propan-2-yloxy)ethyl]-1,3-dioxan-4-yl]ethyl}-5-(4-fluorophenyl)-N,4-diphenyl-2-(propan-2-yl)-1H-pyrrole-3-carboximidic acid</iupac> </compound>