345593 <common-name>[3-carboxy-2-[11-(3-methyl-5-propylfuran-2-yl)undecanoyloxy]propyl]-trimethylazanium</common-name> <description>[3-carboxy-2-[11-(3-methyl-5-propylfuran-2-yl)undecanoyloxy]propyl]-trimethylazanium is a compound with the formula C26H46NO5+. It has an average molecular weight of 452.60 g/mol.</description> <cas nil="true"/> <pubchem-id>156962827</pubchem-id> <chemical-formula>C26H46NO5+</chemical-formula> <weight>452.6</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">2026-08-31T08:30:01Z</created-at> <updated-at type="dateTime">2026-08-31T08:30:01Z</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>CCCC1=CC(=C(O1)CCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C)C</moldb-smiles> <moldb-formula>C26H46NO5+</moldb-formula> <moldb-inchi>InChI=1S/C26H45NO5/c1-6-15-22-18-21(2)24(31-22)16-13-11-9-7-8-10-12-14-17-26(30)32-23(19-25(28)29)20-27(3,4)5/h18,23H,6-17,19-20H2,1-5H3/p+1</moldb-inchi> <moldb-inchikey>YCFYDADSWZVDBX-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">452.3375986</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.2</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>CHEM341486</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>[3-carboxy-2-[11-(3-methyl-5-propylfuran-2-yl)undecanoyloxy]propyl]-trimethylazanium</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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0295949</sync-id> <structure-inchikey>YCFYDADSWZVDBX-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>40000000000000000400800000000004000000000000000000000000000000000000000002000003000000000000000004000002000000000000000000000000100000000000000400000000000008000020800000000100000000000000000004000020010000000000000000180000000000000000000000000800000000000000000040000000000000000000050000000000800400000000001000001000002000000008000000000000082101000000000040000000000000000000000000000008000000000800100000000000000000000000002200400000000000000000000000000000020040000004010400020000000000100000000004000000</structure-fingerprint> 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