346900 <common-name>(9r,10s,13s,14r,15r,16s)-15-benzyl-13-ethyl-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol</common-name> <description>(9r,10s,13s,14r,15r,16s)-15-benzyl-13-ethyl-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol is a compound with the formula C27H33N2O2+. It has an average molecular weight of 417.60 g/mol.</description> <cas nil="true"/> <pubchem-id>23639353</pubchem-id> <chemical-formula>C27H33N2O2+</chemical-formula> <weight>417.6</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">2026-08-31T10:27:37Z</created-at> <updated-at type="dateTime">2026-08-31T10:27:37Z</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>CCC1C2CC3C4C5(CC(C2C5O)[N+]3(C1O)CC6=CC=CC=C6)C7=CC=CC=C7N4C</moldb-smiles> <moldb-formula>C27H33N2O2+</moldb-formula> <moldb-inchi>InChI=1S/C27H33N2O2/c1-3-17-18-13-21-24-27(19-11-7-8-12-20(19)28(24)2)14-22(23(18)25(27)30)29(21,26(17)31)15-16-9-5-4-6-10-16/h4-12,17-18,21-26,30-31H,3,13-15H2,1-2H3/q+1/t17-,18?,21-,22-,23?,24-,25?,26+,27?,29-/m0/s1</moldb-inchi> <moldb-inchikey>KIPHTHYSVQAMJV-VNCBWIAKSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">417.2542033</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</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>CHEM342793</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>(9r,10s,13s,14r,15r,16s)-15-benzyl-13-ethyl-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol</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>CED0297248</sync-id> <structure-inchikey>KIPHTHYSVQAMJV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000800000000000000000000000000000000000008000000000000002000000000000000000000804000000000000000000040000000000000000002000000200000000000200000000000001000000000800000000000000000000010000000000020000020000000000020140000000000000000000100000002048200000800000000000004c00000000000100004000000000400000000900000000000900000000080000a00000000000020800000000000800000000000000000000010080000000010000000000020000000000000220000000000000000000000000000040000000000002000000000000290020000000000100</structure-fingerprint> 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