97221 <common-name>Sodium diethyl 2-[(2-amino-8-hydroxy-6-sulphonatonaphthyl)azo]terephthalate</common-name> <description>Sodium diethyl 2-[(2-amino-8-hydroxy-6-sulphonatonaphthyl)azo]terephthalate belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. It is a benzenoid with the formula C22H21N3O8S and an average molecular weight of 487.50 g/mol.</description> <cas nil="true"/> <pubchem-id>175458</pubchem-id> <chemical-formula>C22H21N3O8S</chemical-formula> <weight>487.5</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">2026-04-05T05:09:52Z</created-at> <updated-at type="dateTime">2026-08-30T11:34:58Z</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>CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)N=NC2=C(C=CC3=CC(=CC(=C32)O)S(=O)(=O)O)N</moldb-smiles> <moldb-formula>C22H21N3O8S</moldb-formula> <moldb-inchi>InChI=1/C22H21N3O8S.Na/c1-3-32-21(27)13-5-7-15(22(28)33-4-2)17(10-13)24-25-20-16(23)8-6-12-9-14(34(29,30)31)11-18(26)19(12)20;/h5-11,26H,3-4,23H2,1-2H3,(H,29,30,31);/q;+1/p-1</moldb-inchi> <moldb-inchikey>OGANMMJCDWWWJR-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">487.1049356</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.1</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>CHEM093114</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00059501</susdat-id> <iupac>6-amino-5-[[2,5-bis(ethoxycarbonyl)phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic 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>Naphthalenes</klass> <subklass>Naphthalene sulfonic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0164783</sync-id> <structure-inchikey>APKAUQSCQXKABY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000010002001000800000000004000050000000000081100000000000000000200002000001000000020000000000000002000000000000040000000000000000000000000000008000002020000020000000000100000004000000010000000000010000000000000000100000000200001000000000000000400000800000000040000000000000000000000000001000000000000000020000000020000000000000000000000000084000000800000000004000088001000000208000000000000000002100000000000000404000004000002000000200000000000000000000000001000040000000000400000000000000008100000000000000</structure-fingerprint> 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