6839 <common-name>FD&C RED NO. 1--PROHIBITED</common-name> <description>FD&C RED NO. 1--PROHIBITED belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. It is a benzenoid with the formula C19H16N2Na2O7S2 and an average molecular weight of 494.45 g/mol.</description> <cas>3564-09-8</cas> <pubchem-id nil="true"/> <chemical-formula>C19H16N2Na2O7S2</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">2016-05-19T02:05:55Z</created-at> <updated-at type="dateTime">2026-04-03T08:35:59Z</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+].[Na+].CC1=CC(C)=C(C)C=C1\N=N\C1=C2C=CC(=CC2=CC(=C1O)S([O-])(=O)=O)S([O-])(=O)=O</moldb-smiles> <moldb-formula>C19H16N2Na2O7S2</moldb-formula> <moldb-inchi>InChI=1S/C19H18N2O7S2.2Na/c1-10-6-12(3)16(7-11(10)2)20-21-18-15-5-4-14(29(23,24)25)8-13(15)9-17(19(18)22)30(26,27)28;;/h4-9,22H,1-3H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2/b21-20+;;</moldb-inchi> <moldb-inchikey>SWPPXVFKWWEYSV-SERMZQFOSA-L</moldb-inchikey> <moldb-average-mass type="decimal">494.449</moldb-average-mass> <moldb-mono-mass type="decimal">494.019431606</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>16735975</chemspider-id> <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>CHEM005734</chemdb-id> <dsstox-id>DTXSID7021231</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00020802</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>159.35</moldb-polar-surface-area> <moldb-refractivity>112.93329999999996</moldb-refractivity> <moldb-polarizability>44.252080510590936</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>9</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>-2.9333881912956565</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>0.38143565289715997</moldb-pka-strongest-basic> <moldb-physiological-charge>-2</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>2.87</moldb-alogps-logp> <moldb-alogps-logs>-4.58</moldb-alogps-logs> <moldb-alogps-solubility>1.30e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Naphthalenes</klass> <subklass>Naphthalene sulfonic acids and derivatives</subklass> <paper-count type="integer">2</paper-count> <sync-id>CED0054565</sync-id> <structure-inchikey>SWPPXVFKWWEYSV-SERMZQFOSA-L</structure-inchikey> <structure-fingerprint>402000000000000000000000000000800800000000000080200000000000000000000200000001000000020000000000800000000000000000000000000000000000000000000000000000002000100020000000000000001004000000000000000000010000100000000000100000000000001000000400000000000000000000000040000000000000000000000000000000040000040000000000000040000000040000000000040008080100000100000200000000080001000000000000000000000000002000000000000000400000080000002004000200000000000000000000000801000040000000000000000000000400000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€�� ������ �������`������@(������@h�������@(�������`������@(�������`������@h�������@(�������(�������(������@(������@(������@h�������@h�������@(������@h�������@(������@h�������@(������@(�������h�������� ����� "���ÿ���(�������(������� ����� "���ÿ���(�������(�����������h���h������h����� h� h� �$���*��� � $� �h���h���h���h���h���h���h���h���h��� ���������������������������� �h�� h���h�B������ �������������� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:34Z</structure-indexed-at> </compound>