351558 <common-name>2-[4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]butyl]isoindole-1,3-dione</common-name> <description>2-[4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]butyl]isoindole-1,3-dione is a chemical compound with the formula C31H35N3O3. It has an average molecular weight of 497.60 g/mol.</description> <cas nil="true"/> <pubchem-id>3087894</pubchem-id> <chemical-formula>C31H35N3O3</chemical-formula> <weight>497.6</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">2026-08-31T17:19:47Z</created-at> <updated-at type="dateTime">2026-08-31T17:19:47Z</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>C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C2=O)CCOC(C4=CC=CC=C4)C5=CC=CC=C5</moldb-smiles> <moldb-formula>C31H35N3O3</moldb-formula> <moldb-inchi>InChI=1S/C31H35N3O3/c35-30-27-15-7-8-16-28(27)31(36)34(30)18-10-9-17-32-19-21-33(22-20-32)23-24-37-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,11-16,29H,9-10,17-24H2</moldb-inchi> <moldb-inchikey>OLCZHUARYVMIAH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">497.267842</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.1</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>CHEM347451</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-[4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]butyl]isoindole-1,3-dione</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>Diphenylmethanes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0301858</sync-id> <structure-inchikey>OLCZHUARYVMIAH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4004000000000000002080000000000000000000000000000000000000000000000000000000002800000000800000000400000000000000000000000000000000000400000000000008000000008000202400000000010000000000040000000000000000000000000000000001000400000002010000000000008000000000000000000000000080000000000000400000000000010000000000000000000000000000000200000000040008000000000000000000000200a000000000000000000000000400000000000000000000000000000000000000000200000000010000000000001000000040000000010080080000000000000000000000000000</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���h���h���h���h����� h� !h�!"h�"#h�#$h����� � h���h�$�h�B������������� �� ������ �������� !"#$�����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:49:27Z</structure-indexed-at> </compound>