<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">68486</id>
  <title nil="true"/>
  <common-name>Etidin</common-name>
  <description nil="true"/>
  <cas>1149-23-1</cas>
  <pubchem-id>70849</pubchem-id>
  <chemical-formula>C13H19N1O4</chemical-formula>
  <weight>253.29</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">2026-04-03T12:34:21Z</created-at>
  <updated-at type="dateTime">2026-08-19T01:53:14Z</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>CCOC(=O)C1=C(C)NC(C)=C(C1)C(=O)OCC</moldb-smiles>
  <moldb-formula>C13H19N1O4</moldb-formula>
  <moldb-inchi>InChI=1S/C13H19NO4/c1-5-17-12(15)10-7-11(13(16)18-6-2)9(4)14-8(10)3/h14H,5-7H2,1-4H3</moldb-inchi>
  <moldb-inchikey>LJXTYJXBORAIHX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">253.298</moldb-average-mass>
  <moldb-mono-mass type="decimal">253.131408</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>64013</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>CHEM064379</chemdb-id>
  <dsstox-id>DTXSID80150895</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00023724</susdat-id>
  <iupac>diethyl 2,6-dimethyl-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">0</paper-count>
  <sync-id>CED0134591</sync-id>
  <structure-inchikey>LJXTYJXBORAIHX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000800200000000000050000000008000000000000000000000000002000000000000000000000000000000000000000000000000000008000000000000000000000000000000000020000000000100000000000000010000000000010000000000000000000000000000020000000000000000000000000000000048000000000000200000000000000000000000000000020000000000000000000000000000000000080000000000000000000000000000000800000000000108000000000000000000001000000000000000002000000000000000000000000000000000000000000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(�������(�������(�������`�������h��������(�������`�������(�������`�������(�������(�������(�������`�������`�������������� ��(��� ��(������ �	 	
�	�(����� �(�� ���������B��������	������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:18:22Z</structure-indexed-at>
</compound>
