342700 <common-name>(1-cyclohexyl-1-methylpyrrolidin-1-ium-3-yl) 9h-xanthene-9-carboxylate</common-name> <description>(1-cyclohexyl-1-methylpyrrolidin-1-ium-3-yl) 9h-xanthene-9-carboxylate is a compound with the formula C25H30NO3+. It has an average molecular weight of 392.50 g/mol.</description> <cas nil="true"/> <pubchem-id>24845532</pubchem-id> <chemical-formula>C25H30NO3+</chemical-formula> <weight>392.5</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">2026-08-31T03:47:10Z</created-at> <updated-at type="dateTime">2026-08-31T03:47:10Z</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(CCC(C1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C5CCCCC5</moldb-smiles> <moldb-formula>C25H30NO3+</moldb-formula> <moldb-inchi>InChI=1S/C25H30NO3/c1-26(18-9-3-2-4-10-18)16-15-19(17-26)28-25(27)24-20-11-5-7-13-22(20)29-23-14-8-6-12-21(23)24/h5-8,11-14,18-19,24H,2-4,9-10,15-17H2,1H3/q+1</moldb-inchi> <moldb-inchikey>UBCJNQQRGHCHEP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">392.2225688</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>CHEM338593</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-cyclohexyl-1-methylpyrrolidin-1-ium-3-yl) 9h-xanthene-9-carboxylate</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>Benzopyrans</klass> <subklass>1-benzopyrans</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0293086</sync-id> <structure-inchikey>UBCJNQQRGHCHEP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000000000000100000000000000000080000000000000000000000000000008000000000000100000000000012000000000000000000000800002000000000000000020000000000024800004000100000000000000000000000000010000000000000000000020000000020000004000000000000002101800000040000000800000000200000000000000000100000000000000000000000000000004000040000000080000000000000000000000004000000000000000000000000000012000000000000010000000000000000000004200001001000000200000000000000044000000400400000001000000000000000000000000</structure-fingerprint> 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