339701 <common-name>7-[2-methoxy-6-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5,5a,9a-hexahydro-1h-3-benzazepine</common-name> <description>7-[2-methoxy-6-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5,5a,9a-hexahydro-1h-3-benzazepine is a chemical compound with the formula C24H28N2O2. It has an average molecular weight of 376.50 g/mol.</description> <cas nil="true"/> <pubchem-id>137321148</pubchem-id> <chemical-formula>C24H28N2O2</chemical-formula> <weight>376.5</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">2026-08-30T23:04:27Z</created-at> <updated-at type="dateTime">2026-08-30T23:04:27Z</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>CC1=CC(=NC=C1)COC2=CC=CC(=C2C3=CC4CCNCCC4C=C3)OC</moldb-smiles> <moldb-formula>C24H28N2O2</moldb-formula> <moldb-inchi>InChI=1S/C24H28N2O2/c1-17-8-13-26-21(14-17)16-28-23-5-3-4-22(27-2)24(23)20-7-6-18-9-11-25-12-10-19(18)15-20/h3-8,13-15,18-19,25H,9-12,16H2,1-2H3</moldb-inchi> <moldb-inchikey>CQLSAYKHANAIMX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">376.2150781</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.8</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>CHEM335594</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>7-[2-methoxy-6-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5,5a,9a-hexahydro-1h-3-benzazepine</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>Benzazepines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0290119</sync-id> <structure-inchikey>CQLSAYKHANAIMX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000800000000000000000000000400000000000000000c00000000000004000000000000000002000000000000000000000200000010000000000001000000000000000000000000000000000000100000008000040000000001400000000000040800000100000000002020000800208000000000004100001004040000010800000200000000040000010000000000020000044000000000080080004000000000000090000002000000000080000000000000008000080000000000000000000000000000000000000000000002000001200000000000000000100000000042040000000000000000000000020000000000000000000</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��� ���B������������ �� � �������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:40:08Z</structure-indexed-at> </compound>