348624 <common-name>[8-[(4-butylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate</common-name> <description>[8-[(4-butylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate is a compound with the formula C28H38NO3+. It has an average molecular weight of 436.60 g/mol.</description> <cas nil="true"/> <pubchem-id>3063810</pubchem-id> <chemical-formula>C28H38NO3+</chemical-formula> <weight>436.6</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">2026-08-31T12:42:46Z</created-at> <updated-at type="dateTime">2026-08-31T12:42:46Z</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>CCCCC1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4)C</moldb-smiles> <moldb-formula>C28H38NO3+</moldb-formula> <moldb-inchi>InChI=1S/C28H38NO3/c1-3-4-8-21-11-13-22(14-12-21)19-29(2)24-15-16-25(29)18-26(17-24)32-28(31)27(20-30)23-9-6-5-7-10-23/h5-7,9-14,24-27,30H,3-4,8,15-20H2,1-2H3/q+1</moldb-inchi> <moldb-inchikey>LFJIGFRDHZAGKW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">436.2851691</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.2</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>CHEM344517</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>[8-[(4-butylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate</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>Piperidines</klass> <subklass>Benzylpiperidines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0298954</sync-id> <structure-inchikey>LFJIGFRDHZAGKW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000100000010000000000000000006000000000000000002000200000000000000000404000000010000000000000020000000000000000000000000010000000000000020200000000100000000000000000000000020110000000000000000000000000000020000000000012000000000100000040040400000800000000200000000000000000900000000001000000000000802000004000100000400080000200008000000000000000000000000000000000000040400010000004000000000000000000000000000004220000000200000400000000000800040000000010400000000000000000000000000000000</structure-fingerprint> 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