322371 <common-name>1-[[(4s,7r)-6-methyl-6-oxido-11-aza-6-azoniatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaen-4-yl]methyl]-1,3-diazinane-2,4-dione</common-name> <description>1-[[(4s,7r)-6-methyl-6-oxido-11-aza-6-azoniatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaen-4-yl]methyl]-1,3-diazinane-2,4-dione is a chemical compound with the formula C20H22N4O3. It has an average molecular weight of 366.40 g/mol.</description> <cas>113869-46-8</cas> <pubchem-id>3087305</pubchem-id> <chemical-formula>C20H22N4O3</chemical-formula> <weight>366.4</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">2026-08-29T22:24:49Z</created-at> <updated-at type="dateTime">2026-08-29T22:24:49Z</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>C[N+]1(CC(C2=CC3=C4C(=CNC4=CC=C3)CC21)CN5CCC(=O)NC5=O)[O-]</moldb-smiles> <moldb-formula>C20H22N4O3</moldb-formula> <moldb-inchi>InChI=1S/C20H22N4O3/c1-24(27)11-14(10-23-6-5-18(25)22-20(23)26)15-7-12-3-2-4-16-19(12)13(9-21-16)8-17(15)24/h2-4,7,9,14,17,21H,5-6,8,10-11H2,1H3,(H,22,25,26)/t14-,17+,24?/m0/s1</moldb-inchi> <moldb-inchikey>JDWJMNBZKJZIQF-ZFHMZADWSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">366.1691906</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.4</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>CHEM318264</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-[[(4s,7r)-6-methyl-6-oxido-11-aza-6-azoniatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaen-4-yl]methyl]-1,3-diazinane-2,4-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>Organoheterocyclic compounds</superklass> <klass>Indoles and derivatives</klass> <subklass>Indoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0273078</sync-id> <structure-inchikey>JDWJMNBZKJZIQF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800002880000000100000800000000000000000000010000000000000000000020000000000000400000000000000020000000000000000000000000000000000000000000000000000024000100000000001800000000000000008000020000000004000000000000000801020100000000000000000004100001000048000000c00020200080000000000000000000000000080000000000000400200000000000000000480000000000000020800000008000000000000000000000010000010010000000000000000000000000000000204200000001000000000008000000000041000000000080004000000000008014000020020010</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������ "�������`�������`�������(�������h�������@(������@(������@(������@h�������@8�������@(������@h�������@h�������@h��������`�������`�������`�������(�������`�������`�������(�������(�������h��������(�������(������ "���ÿ����������������(��� ��h���h�� h� h� �h���h�� h� �h������������������������(��� �� ��(������������h���h��� B������������������� ��� �� ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:26:54Z</structure-indexed-at> </compound>