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<compound>
  <id type="integer">346988</id>
  <title nil="true"/>
  <common-name>2-[diethoxyphosphorylmethyl-[2-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]ethyl]amino]ethyl n-[3-(isocyanatomethyl)phenyl]carbamate</common-name>
  <description>2-[diethoxyphosphorylmethyl-[2-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]ethyl]amino]ethyl n-[3-(isocyanatomethyl)phenyl]carbamate has the chemical formula C27H34N5O9P. With an average molecular weight of 603.60 g/mol, 2-[diethoxyphosphorylmethyl-[2-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]ethyl]amino]ethyl n-[3-(isocyanatomethyl)phenyl]carbamate is a heavy molecule.</description>
  <cas>68133-14-2</cas>
  <pubchem-id>109518</pubchem-id>
  <chemical-formula>C27H34N5O9P</chemical-formula>
  <weight>603.6</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">2026-08-31T10:35:18Z</created-at>
  <updated-at type="dateTime">2026-08-31T10:35:18Z</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"/>
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  <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>CCOP(=O)(CN(CCOC(=O)NC1=CC=CC(=C1)CN=C=O)CCOC(=O)NC2=CC=CC(=C2)CN=C=O)OCC</moldb-smiles>
  <moldb-formula>C27H34N5O9P</moldb-formula>
  <moldb-inchi>InChI=1S/C27H34N5O9P/c1-3-40-42(37,41-4-2)21-32(11-13-38-26(35)30-24-9-5-7-22(15-24)17-28-19-33)12-14-39-27(36)31-25-10-6-8-23(16-25)18-29-20-34/h5-10,15-16H,3-4,11-14,17-18,21H2,1-2H3,(H,30,35)(H,31,36)</moldb-inchi>
  <moldb-inchikey>RRVAANXPJRHAHV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">603.2094147</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.4</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
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  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM342881</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-[diethoxyphosphorylmethyl-[2-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]ethyl]amino]ethyl n-[3-(isocyanatomethyl)phenyl]carbamate</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Phenylcarbamic acid esters</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0297336</sync-id>
  <structure-inchikey>RRVAANXPJRHAHV-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:45:36Z</structure-indexed-at>
</compound>
