91051 <common-name>3-Ethyl-2-[5-(3-ethyl-3H-benzoxazol-2-ylidene)penta-1,3-dienyl]benzoxazolium iodide</common-name> <description>3-Ethyl-2-[5-(3-ethyl-3H-benzoxazol-2-ylidene)penta-1,3-dienyl]benzoxazolium iodide belongs to the benzoxazolines, a class of organoheterocyclic compounds within the organic compounds. It has the chemical formula C23H23N2O2 and an average molecular weight of 486.35 g/mol.</description> <cas nil="true"/> <pubchem-id>2735005</pubchem-id> <chemical-formula>C23H23N2O2</chemical-formula> <weight nil="true"/> <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">2026-04-05T00:38:25Z</created-at> <updated-at type="dateTime">2026-04-05T00:38:25Z</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>[I-].CCN1C(OC2=C1C=CC=C2)=CC=CC=CC1=[N+](CC)C2=C(O1)C=CC=C2</moldb-smiles> <moldb-formula>C23H23N2O2</moldb-formula> <moldb-inchi>InChI=1/C23H23N2O2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1</moldb-inchi> <moldb-inchikey>CLDZYSUDOQXJOU-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">486.353</moldb-average-mass> <moldb-mono-mass type="decimal">359.175953</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM086944</chemdb-id> <dsstox-id>DTXSID50884771</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00052250</susdat-id> <iupac nil="true"/> <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>Benzoxazolines</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0152469</sync-id> <structure-inchikey>CLDZYSUDOQXJOU-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>200008000000800000000800001000000000000000000000000000000000000002000000000001000000000000000000000080000001010000000000000200000000080000080000000000000004800000000200000800000000000000001000800000001000000000000020000000000100000000000100000000000000000040000000800000000080000000000000010100000000000000000000000100008000000000000000080000000000800000000080004000000000000000000000020000008800014000010000000100000000000000000200000080002000a00000000000000040080000400000000000000000000000000000000000</structure-fingerprint> 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