326840 <common-name>2-(2-hydroxyethoxy)ethyl 2-(5-oxo-6h-benzo[b][1]benzoxepin-3-yl)propanoate</common-name> <description>2-(2-hydroxyethoxy)ethyl 2-(5-oxo-6h-benzo[b][1]benzoxepin-3-yl)propanoate is a chemical compound with the formula C21H22O6. It has an average molecular weight of 370.40 g/mol.</description> <cas>72619-41-1</cas> <pubchem-id>3055597</pubchem-id> <chemical-formula>C21H22O6</chemical-formula> <weight>370.4</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">2026-08-30T05:26:03Z</created-at> <updated-at type="dateTime">2026-08-30T05:26:03Z</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(C1=CC2=C(C=C1)OC3=CC=CC=C3CC2=O)C(=O)OCCOCCO</moldb-smiles> <moldb-formula>C21H22O6</moldb-formula> <moldb-inchi>InChI=1S/C21H22O6/c1-14(21(24)26-11-10-25-9-8-22)15-6-7-20-17(12-15)18(23)13-16-4-2-3-5-19(16)27-20/h2-7,12,14,22H,8-11,13H2,1H3</moldb-inchi> <moldb-inchikey>AQVIMIDPDJTEOW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">370.1416384</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM322733</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-(2-hydroxyethoxy)ethyl 2-(5-oxo-6h-benzo[b][1]benzoxepin-3-yl)propanoate</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>Benzoxepines</klass> <subklass>Dibenzoxepines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0277457</sync-id> <structure-inchikey>AQVIMIDPDJTEOW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40040000000000000000800000000000000010000000000000000002000000000000001000000020000000008000000000000000000000000080004000000000008000000000000000000000000000000020800000001100000000000001008000000000010000000000000000100000080000020000000000000000000000000010080040240000800000000000000000000000000100000000081000000000000800000400000000000440080000000000000000000000004000000000000000000088000000000000000000004000000000100008000000000200000001000000200000000004000040000000400400000000000000000080000004000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`������@(������@h�������@(������@(������@h�������@h��������(������@(������@h�������@h�������@h�������@h�������@(�������`�������(�������(�������(�������(�������(�������`�������`������� ������`�������`�������`��������������h���h���h���h���h��� � h� �h���h�� h� �h���������(������(��� ��������������������h��� � h�B������������������ � �� � ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:30:22Z</structure-indexed-at> </compound>