327690 <common-name>4-[4-[2-(diethylamino)ethyl]-3,5-dioxo-2-(4-sulfophenyl)pyrazolidin-1-yl]benzenesulfonic acid</common-name> <description>4-[4-[2-(diethylamino)ethyl]-3,5-dioxo-2-(4-sulfophenyl)pyrazolidin-1-yl]benzenesulfonic acid is a chemical compound with the formula C21H25N3O8S2. With an average molecular weight of 511.60 g/mol, 4-[4-[2-(diethylamino)ethyl]-3,5-dioxo-2-(4-sulfophenyl)pyrazolidin-1-yl]benzenesulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>3040844</pubchem-id> <chemical-formula>C21H25N3O8S2</chemical-formula> <weight>511.6</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">2026-08-30T07:00:28Z</created-at> <updated-at type="dateTime">2026-08-30T07:00:28Z</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>CCN(CC)CCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C3=CC=C(C=C3)S(=O)(=O)O</moldb-smiles> <moldb-formula>C21H25N3O8S2</moldb-formula> <moldb-inchi>InChI=1S/C21H25N3O8S2/c1-3-22(4-2)14-13-19-20(25)23(15-5-9-17(10-6-15)33(27,28)29)24(21(19)26)16-7-11-18(12-8-16)34(30,31)32/h5-12,19H,3-4,13-14H2,1-2H3,(H,27,28,29)(H,30,31,32)</moldb-inchi> <moldb-inchikey>SUMONYZNEDFSQQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">511.1083071</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2.6</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>CHEM323583</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>4-[4-[2-(diethylamino)ethyl]-3,5-dioxo-2-(4-sulfophenyl)pyrazolidin-1-yl]benzenesulfonic acid</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>Benzenesulfonic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0278294</sync-id> <structure-inchikey>SUMONYZNEDFSQQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000800000000000000000000000000000000000004000100000000002040021000000020001000100000000000000000002000000000000000000000000000000008000000820000020000000000000001004000000000000000000010004008000000000004000000000000900000000000000000000100000000040000000000100000000000000000000000000000000000000000000000000000200000000000000080000000000000000000000088000000000000000000000000000000000000000000000000000000000000000000200000000000000000040000000000040000000000001000001000000040000000000000000</structure-fingerprint> 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