21128 <common-name>Itasetron</common-name> <description nil="true"/> <cas>123258-84-4</cas> <pubchem-id nil="true"/> <chemical-formula>C16H20N4O2</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">2016-05-22T06:42:33Z</created-at> <updated-at type="dateTime">2016-11-09T01:16:07Z</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@]12CC[C@]([H])(C[C@@]([H])(C1)N=C(O)N1C(O)=NC3=CC=CC=C13)N2C</moldb-smiles> <moldb-formula>C16H20N4O2</moldb-formula> <moldb-inchi>InChI=1S/C16H20N4O2/c1-19-11-6-7-12(19)9-10(8-11)17-15(21)20-14-5-3-2-4-13(14)18-16(20)22/h2-5,10-12H,6-9H2,1H3,(H,17,21)(H,18,22)/t10-,11+,12-</moldb-inchi> <moldb-inchikey>RWXRJSRJIITQAK-ZSBIGDGJSA-N</moldb-inchikey> <moldb-average-mass type="decimal">300.362</moldb-average-mass> <moldb-mono-mass type="decimal">300.1586259</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>CHEM020023</chemdb-id> <dsstox-id>DTXSID9048803</dsstox-id> <toxcast-id>48803</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-hydroxy-N-[(1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-1,3-benzodiazole-1-carboximidic acid</iupac> </compound>