327123 <common-name>1-(spiro[1,3-dioxolane-2,11'-6h-benzo[c][1]benzoxepine]-4-ylmethyl)pyrrolidine</common-name> <description>1-(spiro[1,3-dioxolane-2,11'-6h-benzo[c][1]benzoxepine]-4-ylmethyl)pyrrolidine is a chemical compound with the formula C21H23NO3. It has an average molecular weight of 337.40 g/mol.</description> <cas nil="true"/> <pubchem-id>217916</pubchem-id> <chemical-formula>C21H23NO3</chemical-formula> <weight>337.4</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">2026-08-30T05:53:54Z</created-at> <updated-at type="dateTime">2026-08-30T05:53:54Z</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>C1CCN(C1)CC2COC3(O2)C4=CC=CC=C4COC5=CC=CC=C35</moldb-smiles> <moldb-formula>C21H23NO3</moldb-formula> <moldb-inchi>InChI=1S/C21H23NO3/c1-2-8-18-16(7-1)14-23-20-10-4-3-9-19(20)21(18)24-15-17(25-21)13-22-11-5-6-12-22/h1-4,7-10,17H,5-6,11-15H2</moldb-inchi> <moldb-inchikey>VYHLMNZBSMLPET-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">337.1677936</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</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>CHEM323016</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>1-(spiro[1,3-dioxolane-2,11'-6h-benzo[c][1]benzoxepine]-4-ylmethyl)pyrrolidine</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>CED0277735</sync-id> <structure-inchikey>VYHLMNZBSMLPET-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>808000000000000000000000080000000000000000000000000000000000000000000010000800000108000000004000000000000000000000000000000000000000004000000000008001000000000000000000000000000000000000000000000000000000000008000201000000000000000000005008000000080200008000000000000010000000000001000000000a000000000000000000000000800000000008010000000200000000080000c000000000000000000000000020004000000000000000000000000008000000000200000000010000000000000000000040000000400010000000000000080002000000000400</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���h�B������������� ��� �������� ��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:30:34Z</structure-indexed-at> </compound>