46925 <common-name>Uvinul 3030</common-name> <description nil="true"/> <cas>178671-58-4</cas> <pubchem-id>16134382</pubchem-id> <chemical-formula>C69H48N4O8</chemical-formula> <weight>1061.1</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">2016-06-03T13:43:17Z</created-at> <updated-at type="dateTime">2026-04-17T15:51:02Z</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>O=C(OCC(COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1)(COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C69H48N4O8</moldb-formula> <moldb-inchi>InChI=1S/C69H48N4O8/c70-41-57(61(49-25-9-1-10-26-49)50-27-11-2-12-28-50)65(74)78-45-69(46-79-66(75)58(42-71)62(51-29-13-3-14-30-51)52-31-15-4-16-32-52,47-80-67(76)59(43-72)63(53-33-17-5-18-34-53)54-35-19-6-20-36-54)48-81-68(77)60(44-73)64(55-37-21-7-22-38-55)56-39-23-8-24-40-56/h1-40H,45-48H2</moldb-inchi> <moldb-inchikey>CVSXFBFIOUYODT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">1061.163</moldb-average-mass> <moldb-mono-mass type="decimal">1060.347214522</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>10684253</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>CHEM045820</chemdb-id> <dsstox-id>DTXSID70170522</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>BfG,Schüsener 2015</stoff-ident-origin> <stoff-ident-id>SI00009058</stoff-ident-id> <susdat-id>NS00003527</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>200.35999999999993</moldb-polar-surface-area> <moldb-refractivity>344.4236999999999</moldb-refractivity> <moldb-polarizability>112.73771193913623</moldb-polarizability> <moldb-rotatable-bond-count>24</moldb-rotatable-bond-count> <moldb-acceptor-count>8</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-6.645893476214387</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>8</moldb-number-of-rings> <moldb-alogps-logp>7.24</moldb-alogps-logp> <moldb-alogps-logs>-6.20</moldb-alogps-logs> <moldb-alogps-solubility>6.69e-04 g/l</moldb-alogps-solubility> </compound>