94449 <common-name>3,6-Bis[2-(dimethylamino)ethoxy]-9H-xanthen-9-one dihydrochloride</common-name> <description>3,6-Bis[2-(dimethylamino)ethoxy]-9H-xanthen-9-one dihydrochloride belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. This organoheterocyclic compound has the formula C21H26N2O4 and an average molecular weight of 443.37 g/mol.</description> <cas>38020-45-0</cas> <pubchem-id>124183</pubchem-id> <chemical-formula>C21H26N2O4</chemical-formula> <weight>370.4</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">2026-04-05T02:44:30Z</created-at> <updated-at type="dateTime">2026-08-30T07:50:31Z</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.Cl.CN(C)CCOC1=CC2=C(C=C1)C(=O)C1=C(O2)C=C(OCCN(C)C)C=C1</moldb-smiles> <moldb-formula>C21H26N2O4</moldb-formula> <moldb-inchi>InChI=1/C21H26N2O4.2ClH/c1-22(2)9-11-25-15-5-7-17-19(13-15)27-20-14-16(26-12-10-23(3)4)6-8-18(20)21(17)24;;/h5-8,13-14H,9-12H2,1-4H3;2*1H</moldb-inchi> <moldb-inchikey>YGPTVYNBVYFRLU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">443.37</moldb-average-mass> <moldb-mono-mass type="decimal">370.1892573</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</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>CHEM090342</chemdb-id> <dsstox-id>DTXSID80969848</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00056239</susdat-id> <iupac>3,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one</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>Organoheterocyclic compounds</superklass> <klass>Benzopyrans</klass> <subklass>1-benzopyrans</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0185505</sync-id> <structure-inchikey>YGPTVYNBVYFRLU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800000000000000000000000000000000000000000000000000000000020200000000000000000000200000000000000000000000000000400000000000000000000000000000028800000000500000200000000000000000000000000000000000000104000000000000004000000000000000000000020000040000000000000000000000000100000000000000000000400000000000020000000000000040000080000000000000000080000000000040000000020000000000000000800000000000000000000000000000004000200000000000010800000010200000040000000000000000001000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���@������@������`������� ������`�������`�������`�������(������@(������@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">2026-09-19T04:35:47Z</structure-indexed-at> </compound>