90933 <common-name>3,6-Diamino-9-(2-carboxyphenyl)xanthylium chloride</common-name> <description>3,6-Diamino-9-(2-carboxyphenyl)xanthylium chloride belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. This organoheterocyclic compound has the chemical formula C20H15N2O3 and an average molecular weight of 366.80 g/mol.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C20H15N2O3</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">2026-04-05T00:34:22Z</created-at> <updated-at type="dateTime">2026-04-05T00:34:22Z</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>[Cl-].NC1=CC2=[O+]C3=C(C=CC(N)=C3)C(C3=CC=CC=C3C(O)=O)=C2C=C1</moldb-smiles> <moldb-formula>C20H15N2O3</moldb-formula> <moldb-inchi>InChI=1/C20H14N2O3.ClH/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24;/h1-10H,21-22H2;1H</moldb-inchi> <moldb-inchikey>VDOWACIWFRCYML-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">366.8</moldb-average-mass> <moldb-mono-mass type="decimal">331.1082673</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>CHEM086826</chemdb-id> <dsstox-id>DTXSID10884515</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00052097</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>Organoheterocyclic compounds</superklass> <klass>Benzopyrans</klass> <subklass>1-benzopyrans</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0096509</sync-id> <structure-inchikey>MYIOYATURDILJN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>a000000000000000000000000000000000000000000000000000008000000004000000000000000080000000000000000000000000000000000000000000000120000000000000020000000000000000000001010000000000000000100080000000000000000000000080000000000000010000000100800000000000000000409000040100000000000000000000000000000000000200040000880000000000000401004000000000000000000000000000000000000000000000000000000000000000000004001200000000000000000000000000002040000000000400000000000000000100000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€�� ����ÿ��h�������@(������@h�������@(������`*�������@(������@(������@h�������@h�������@(�������h�������@h�������@(������@(������@h�������@h�������@h�������@h�������@(�������(�������h��������(������@(������@h�������@h��������� ��h���h���h���h���h���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">2026-09-19T04:33:32Z</structure-indexed-at> </compound>