44558 <common-name>(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl (1R-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate</common-name> <description nil="true"/> <cas>769-12-0</cas> <pubchem-id>24365</pubchem-id> <chemical-formula>C19H25NO4</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">2016-06-03T10:55:47Z</created-at> <updated-at type="dateTime">2026-03-27T01:56:56Z</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(C=C(C)C)[C@@]([H])(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C</moldb-smiles> <moldb-formula>C19H25NO4</moldb-formula> <moldb-inchi>InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3/t14-,15+/m1/s1</moldb-inchi> <moldb-inchikey>CXBMCYHAMVGWJQ-CABCVRRESA-N</moldb-inchikey> <moldb-average-mass type="decimal">331.412</moldb-average-mass> <moldb-mono-mass type="decimal">331.178358289</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>22780</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>CHEM043453</chemdb-id> <dsstox-id>DTXSID4058289</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>COMMISSION REGULATION (EC) No 1451/2007 (ANNEX I)</stoff-ident-origin> <stoff-ident-id>SI00002515</stoff-ident-id> <susdat-id>NS00007969</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>63.68000000000001</moldb-polar-surface-area> <moldb-refractivity>90.18749999999996</moldb-refractivity> <moldb-polarizability>36.76664448500851</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-4.100562613051365</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>2.84</moldb-alogps-logp> <moldb-alogps-logs>-3.64</moldb-alogps-logs> <moldb-alogps-solubility>7.54e-02 g/l</moldb-alogps-solubility> </compound>