90554 <common-name>Sodium 3-[(hexadecylamino)carbonyl]-4-hydroxynaphthalene-1-sulphonate</common-name> <description>Sodium 3-[(hexadecylamino)carbonyl]-4-hydroxynaphthalene-1-sulphonate belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. It is classified as a benzenoid with the chemical formula C27H41NO5S. With an average molecular weight of 513.67 g/mol, Sodium 3-[(hexadecylamino)carbonyl]-4-hydroxynaphthalene-1-sulphonate is a heavy molecule.</description> <cas>57116-70-8</cas> <pubchem-id>3014720</pubchem-id> <chemical-formula>C27H41NO5S</chemical-formula> <weight nil="true"/> <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">2026-04-05T00:21:25Z</created-at> <updated-at type="dateTime">2026-04-05T00:21:25Z</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>[Na+].CCCCCCCCCCCCCCCCNC(=O)C1=C(O)C2=CC=CC=C2C(=C1)S([O-])(=O)=O</moldb-smiles> <moldb-formula>C27H41NO5S</moldb-formula> <moldb-inchi>InChI=1/C27H41NO5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-28-27(30)24-21-25(34(31,32)33)22-18-15-16-19-23(22)26(24)29;/h15-16,18-19,21,29H,2-14,17,20H2,1H3,(H,28,30)(H,31,32,33);/q;+1/p-1</moldb-inchi> <moldb-inchikey>SMFCODVQSWXCGR-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">513.67</moldb-average-mass> <moldb-mono-mass type="decimal">491.2705444</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM086447</chemdb-id> <dsstox-id>DTXSID40157224</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00051663</susdat-id> <iupac nil="true"/> <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>CED0159580</sync-id> <structure-inchikey>SMFCODVQSWXCGR-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>800000000000000000800000000000000800000080000004200000000000000000001002000000000000060000000000800000000000000000000002000020000000000000000000018000000000000020001000000000001000000000000000000020010000100000000000100000000000000000000000000000000000000000000040000000800000000000010080000000000100040000000000000000000000040400000000040000080000000000000008000000080000100000000000000000040000002000000000000000000000000000000000000200000000000000000000000000000048000000010400000000000000000100000008000000</structure-fingerprint> 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