329316 <common-name>2-[4-[[2-[diethyl(methyl)azaniumyl]acetyl]amino]-2-hydroxybenzoyl]oxyethyl-diethyl-methylazanium</common-name> <description>2-[4-[[2-[diethyl(methyl)azaniumyl]acetyl]amino]-2-hydroxybenzoyl]oxyethyl-diethyl-methylazanium is a compound with the formula C21H37N3O4+2. It has an average molecular weight of 395.50 g/mol.</description> <cas nil="true"/> <pubchem-id>52153</pubchem-id> <chemical-formula>C21H37N3O4+2</chemical-formula> <weight>395.5</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">2026-08-30T09:30:24Z</created-at> <updated-at type="dateTime">2026-08-30T09:30:24Z</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>CC[N+](C)(CC)CCOC(=O)C1=C(C=C(C=C1)NC(=O)C[N+](C)(CC)CC)O</moldb-smiles> <moldb-formula>C21H37N3O4+2</moldb-formula> <moldb-inchi>InChI=1S/C21H35N3O4/c1-7-23(5,8-2)13-14-28-21(27)18-12-11-17(15-19(18)25)22-20(26)16-24(6,9-3)10-4/h11-12,15H,7-10,13-14,16H2,1-6H3/p+2</moldb-inchi> <moldb-inchikey>BITIGXRSKKDQAE-UHFFFAOYSA-P</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">395.2784067</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.8</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>CHEM325209</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>2-[4-[[2-[diethyl(methyl)azaniumyl]acetyl]amino]-2-hydroxybenzoyl]oxyethyl-diethyl-methylazanium</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzoic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0279883</sync-id> <structure-inchikey>BITIGXRSKKDQAE-UHFFFAOYSA-P</structure-inchikey> <structure-fingerprint>40000004000001000800000000800002050000000008100040000000000000000000002000000000000000000000000000002000801000000000200000000000000000000000000000000000208000020000000000100000000000000000000000000010000000010000000100000040040000000002020008000000000000000010040000000000000000000000080000000000000000000000000000000000000000000000000000000080000200000000000000000000000000000000000000000000000802100000000000000004000000000000000000200000000000002008000000000000040000000000400000000000000000100000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`������ "�������`�������`�������`�������`�������`�������(�������(�������(������@(������@(������@h�������@(������@h�������@h��������h��������(�������(�������`������ "�������`�������`�������`�������`�������`�������h�������������������������������� (� � ��h�� h� �h���h���h��� �� ��(������������������������ ��h�B��������� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:32:11Z</structure-indexed-at> </compound>