21122 <common-name>Diponium bromide</common-name> <description nil="true"/> <cas>2001-81-2</cas> <pubchem-id>71809</pubchem-id> <chemical-formula>C20H38BrNO2</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">2016-05-22T06:42:08Z</created-at> <updated-at type="dateTime">2026-04-04T21:08:14Z</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>[Br-].CC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C1CCCC1</moldb-smiles> <moldb-formula>C20H38BrNO2</moldb-formula> <moldb-inchi>InChI=1S/C20H38NO2.BrH/c1-4-21(5-2,6-3)15-16-23-20(22)19(17-11-7-8-12-17)18-13-9-10-14-18;/h17-19H,4-16H2,1-3H3;1H/q+1;/p-1</moldb-inchi> <moldb-inchikey>ADZXDFALMZGPTN-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">404.433</moldb-average-mass> <moldb-mono-mass type="decimal">403.208592</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>CHEM020017</chemdb-id> <dsstox-id>DTXSID2048797</dsstox-id> <toxcast-id>48797</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00046241</susdat-id> <iupac>{2-[(2,2-dicyclopentylacetyl)oxy]ethyl}triethylazanium bromide</iupac> </compound>