46936 <common-name>Cimbuterol</common-name> <description nil="true"/> <cas>54239-39-3</cas> <pubchem-id>3027547</pubchem-id> <chemical-formula>C13H19N3O</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">2016-06-03T13:44:13Z</created-at> <updated-at type="dateTime">2026-03-26T22:36:47Z</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>CC(C)(C)NCC(O)C1=CC(C#N)=C(N)C=C1</moldb-smiles> <moldb-formula>C13H19N3O</moldb-formula> <moldb-inchi>InChI=1S/C13H19N3O/c1-13(2,3)16-8-12(17)9-4-5-11(15)10(6-9)7-14/h4-6,12,16-17H,8,15H2,1-3H3</moldb-inchi> <moldb-inchikey>YKKQAXQGZIBJFS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">233.315</moldb-average-mass> <moldb-mono-mass type="decimal">233.152812244</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2293046</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>CHEM045831</chemdb-id> <dsstox-id>DTXSID30388626</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>NIVA/Waters</stoff-ident-origin> <stoff-ident-id>SI00009087</stoff-ident-id> <susdat-id>NS00004644</susdat-id> <iupac>2-amino-5-[2-(tert-butylamino)-1-hydroxyethyl]benzonitrile</iupac> </compound>