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<compound>
  <id type="integer">350809</id>
  <title nil="true"/>
  <common-name>5-o-[2-[benzyl(methyl)amino]ethyl] 3-o-(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate</common-name>
  <description>5-o-[2-[benzyl(methyl)amino]ethyl] 3-o-(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate has the chemical formula C30H37N3O8. With an average molecular weight of 567.60 g/mol, 5-o-[2-[benzyl(methyl)amino]ethyl] 3-o-(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate is a heavy molecule.</description>
  <cas>85387-23-1</cas>
  <pubchem-id>3069847</pubchem-id>
  <chemical-formula>C30H37N3O8</chemical-formula>
  <weight>567.6</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">2026-08-31T16:06:34Z</created-at>
  <updated-at type="dateTime">2026-08-31T16:06:34Z</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>CCCOCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCN(C)CC3=CC=CC=C3)C)CO</moldb-smiles>
  <moldb-formula>C30H37N3O8</moldb-formula>
  <moldb-inchi>InChI=1S/C30H37N3O8/c1-4-14-39-16-17-41-30(36)28-25(20-34)31-21(2)26(27(28)23-11-8-12-24(18-23)33(37)38)29(35)40-15-13-32(3)19-22-9-6-5-7-10-22/h5-12,18,27,31,34H,4,13-17,19-20H2,1-3H3</moldb-inchi>
  <moldb-inchikey>ZYCGRGULEMPHTI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">567.2580652</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.3</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <structure-image-content-type nil="true"/>
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  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM346702</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-[benzyl(methyl)amino]ethyl] 3-o-(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-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>CED0301113</sync-id>
  <structure-inchikey>ZYCGRGULEMPHTI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint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structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:48:47Z</structure-indexed-at>
</compound>
