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<compound>
  <id type="integer">346274</id>
  <title nil="true"/>
  <common-name>5-o-[[2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl] 3-o-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate</common-name>
  <description>5-o-[[2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl] 3-o-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate is a chemical compound with the formula C27H26Cl2N2O8. With an average molecular weight of 577.40 g/mol, 5-o-[[2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl] 3-o-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate is a heavy molecule.</description>
  <cas>108914-41-6</cas>
  <pubchem-id>3065800</pubchem-id>
  <chemical-formula>C27H26Cl2N2O8</chemical-formula>
  <weight>577.4</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">2026-08-31T09:40:24Z</created-at>
  <updated-at type="dateTime">2026-08-31T09:40:24Z</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>CC1=C(C(C(=C(N1)C)C(=O)OCC2COC(O2)(C)C3=C(C=C(C=C3)Cl)Cl)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC</moldb-smiles>
  <moldb-formula>C27H26Cl2N2O8</moldb-formula>
  <moldb-inchi>InChI=1S/C27H26Cl2N2O8/c1-14-22(25(32)36-4)24(16-6-5-7-18(10-16)31(34)35)23(15(2)30-14)26(33)37-12-19-13-38-27(3,39-19)20-9-8-17(28)11-21(20)29/h5-11,19,24,30H,12-13H2,1-4H3</moldb-inchi>
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  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">576.1066212</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM342167</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>5-o-[[2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl] 3-o-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Pyridines and derivatives</klass>
  <subklass>Hydropyridines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0296627</sync-id>
  <structure-inchikey>RUZQJFLDSQRJEW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80880000000000010050000400000000000080000000000000000000000000000000000002000000000000000000000001000000000000000000000000400000000000000000000020800000000100001000400000400000000000010080000240000001120000002000020000000000000000000400510001000048020000800800200000800080011000001002400000000000000021000000000040000000000000080100000000000000000080000000000800000000000000000000000020000020001001000010000000002000000200000000000040400000000000000240000000000410000800001000080000001000000000</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:45:03Z</structure-indexed-at>
</compound>
