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  <id type="integer">324862</id>
  <title nil="true"/>
  <common-name>2-hydroxyethyl-[4-[4-[2-[2-hydroxyethyl(dimethyl)azaniumyl]acetyl]phenyl]-2-oxobutyl]-dimethylazanium</common-name>
  <description>2-hydroxyethyl-[4-[4-[2-[2-hydroxyethyl(dimethyl)azaniumyl]acetyl]phenyl]-2-oxobutyl]-dimethylazanium is a compound with the formula C20H34N2O4+2. It has an average molecular weight of 366.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>116430</pubchem-id>
  <chemical-formula>C20H34N2O4+2</chemical-formula>
  <weight>366.5</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">2026-08-30T02:20:52Z</created-at>
  <updated-at type="dateTime">2026-08-30T02:20:52Z</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>C[N+](C)(CCO)CC(=O)CCC1=CC=C(C=C1)C(=O)C[N+](C)(C)CCO</moldb-smiles>
  <moldb-formula>C20H34N2O4+2</moldb-formula>
  <moldb-inchi>InChI=1S/C20H34N2O4/c1-21(2,11-13-23)15-19(25)10-7-17-5-8-18(9-6-17)20(26)16-22(3,4)12-14-24/h5-6,8-9,23-24H,7,10-16H2,1-4H3/q+2</moldb-inchi>
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  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">366.2518576</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.3</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <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>CHEM320755</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>2-hydroxyethyl-[4-[4-[2-[2-hydroxyethyl(dimethyl)azaniumyl]acetyl]phenyl]-2-oxobutyl]-dimethylazanium</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>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbonyl compounds</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0275509</sync-id>
  <structure-inchikey>GEYKGGWGGLBDDU-UHFFFAOYSA-N</structure-inchikey>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:28:54Z</structure-indexed-at>
</compound>
