18637 <common-name>Irsogladine maleate</common-name> <description nil="true"/> <cas>84504-69-8</cas> <pubchem-id nil="true"/> <chemical-formula>C13H11Cl2N5O4</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">2016-05-22T04:26:22Z</created-at> <updated-at type="dateTime">2016-11-09T01:15:36Z</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>[H]\C(=C(/[H])C(O)=O)C(O)=O.ClC1=CC(=C(Cl)C=C1)C1=NC(=N)NC(=N)N1</moldb-smiles> <moldb-formula>C13H11Cl2N5O4</moldb-formula> <moldb-inchi>InChI=1S/C9H7Cl2N5.C4H4O4/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7;5-3(6)1-2-4(7)8/h1-3H,(H4,12,13,14,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-</moldb-inchi> <moldb-inchikey>PJLVTVAIERNDEQ-BTJKTKAUSA-N</moldb-inchikey> <moldb-average-mass type="decimal">372.16</moldb-average-mass> <moldb-mono-mass type="decimal">371.0188093</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>CHEM017532</chemdb-id> <dsstox-id>DTXSID2040234</dsstox-id> <toxcast-id>40234</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>(2Z)-but-2-enedioic acid; 6-(2,5-dichlorophenyl)-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-diimine</iupac> </compound>