78581 <common-name>Ethyl N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthryl)-beta-alaninate</common-name> <description nil="true"/> <cas>70321-15-2</cas> <pubchem-id>44150898</pubchem-id> <chemical-formula>C19H17N1O5</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">2026-04-04T12:42:11Z</created-at> <updated-at type="dateTime">2026-04-04T12:42:11Z</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)CCNC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(O)C=C1</moldb-smiles> <moldb-formula>C19H17N1O5</moldb-formula> <moldb-inchi>InChI=1S/C19H17NO5/c1-2-25-15(22)9-10-20-13-7-8-14(21)17-16(13)18(23)11-5-3-4-6-12(11)19(17)24/h3-8,20-21H,2,9-10H2,1H3</moldb-inchi> <moldb-inchikey>AMWRPHGVAUGJDB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">339.347</moldb-average-mass> <moldb-mono-mass type="decimal">339.110673</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>21168089</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>CHEM074474</chemdb-id> <dsstox-id>DTXSID20220607</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00037045</susdat-id> <iupac>ethyl 3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]propanoate</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"/> </compound>