<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">22335</id>
  <title nil="true"/>
  <common-name>Atenolol acid</common-name>
  <description nil="true"/>
  <cas></cas>
  <pubchem-id>62936</pubchem-id>
  <chemical-formula>C14H21NO4</chemical-formula>
  <weight nil="true"/>
  <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">2016-05-25T03:16:49Z</created-at>
  <updated-at type="dateTime">2026-03-25T19:46:23Z</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>CC(C)NCC(O)COC1=CC=C(CC(O)=O)C=C1</moldb-smiles>
  <moldb-formula>C14H21NO4</moldb-formula>
  <moldb-inchi>InChI=1S/C14H21NO4/c1-10(2)15-8-12(16)9-19-13-5-3-11(4-6-13)7-14(17)18/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18)</moldb-inchi>
  <moldb-inchikey>PUQIRTNPJRFRCZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">267.325</moldb-average-mass>
  <moldb-mono-mass type="decimal">267.14705816</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>56653</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>CHEM021230</chemdb-id>
  <dsstox-id>DTXSID70881080</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00000314</susdat-id>
  <iupac>2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetic acid</iupac>
</compound>
