354790 <common-name>Diethyl-methyl-[2-[[4-[[2-octoxy-5-(octylcarbamoyl)benzoyl]amino]benzoyl]amino]ethyl]azanium</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>13222860</pubchem-id> <chemical-formula>C38H61N4O4+</chemical-formula> <weight>637.9</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">2026-08-31T22:44:21Z</created-at> <updated-at type="dateTime">2026-08-31T22:44:21Z</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>CCCCCCCCNC(=O)C1=CC(=C(C=C1)OCCCCCCCC)C(=O)NC2=CC=C(C=C2)C(=O)NCC[N+](C)(CC)CC</moldb-smiles> <moldb-formula>C38H61N4O4+</moldb-formula> <moldb-inchi>InChI=1S/C38H60N4O4/c1-6-10-12-14-16-18-26-39-37(44)32-22-25-35(46-29-19-17-15-13-11-7-2)34(30-32)38(45)41-33-23-20-31(21-24-33)36(43)40-27-28-42(5,8-3)9-4/h20-25,30H,6-19,26-29H2,1-5H3,(H2-,39,40,41,43,44,45)/p+1</moldb-inchi> <moldb-inchikey>LHDFONMZVILFPT-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">637.4692814</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>8.9</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>CHEM350683</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>Diethyl-methyl-[2-[[4-[[2-octoxy-5-(octylcarbamoyl)benzoyl]amino]benzoyl]amino]ethyl]azanium</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>CED0305068</sync-id> </compound>