321385 <common-name>2,4,8-trimethyl-9-phenyl-3,10-dihydropyrrolo[3,2-i][1,5]benzodiazepine</common-name> <description>2,4,8-trimethyl-9-phenyl-3,10-dihydropyrrolo[3,2-i][1,5]benzodiazepine is a chemical compound with the formula C20H19N3. It has an average molecular weight of 301.40 g/mol.</description> <cas>113597-48-1</cas> <pubchem-id>3087219</pubchem-id> <chemical-formula>C20H19N3</chemical-formula> <weight>301.4</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">2026-08-29T20:50:08Z</created-at> <updated-at type="dateTime">2026-08-29T20:50:08Z</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=NC2=C(C3=C(C=C2)C(=C(N3)C4=CC=CC=C4)C)N=C(C1)C</moldb-smiles> <moldb-formula>C20H19N3</moldb-formula> <moldb-inchi>InChI=1S/C20H19N3/c1-12-11-13(2)22-20-17(21-12)10-9-16-14(3)18(23-19(16)20)15-7-5-4-6-8-15/h4-10,23H,11H2,1-3H3</moldb-inchi> <moldb-inchikey>BKCJKCFRNKCKMO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">301.1578976</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM317278</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>2,4,8-trimethyl-9-phenyl-3,10-dihydropyrrolo[3,2-i][1,5]benzodiazepine</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>Indoles and derivatives</klass> <subklass>Indoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0272106</sync-id> <structure-inchikey>BKCJKCFRNKCKMO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000000000000000080000000000000000000000000000002004000000200000800000000000000000000000000000000020008000000000000000041000000000000000008000000000000000000000000002000000000000000000030000000000000000000000040000000040100000800000200000000000804000000100000080000000000000000000000000000000040000080000000000000100000000000000000000402000000008000000000000000000000000000000020000002004004200000000000000000000000000000040000000000800000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(������@(������@(������@(������@(������@h�������@h�������@(������@(������@8�������@(������@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">2026-09-19T05:26:14Z</structure-indexed-at> </compound>