EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:746982 - bumetanide(1-)

Default Structure
ChEBI IDCHEBI:746982
ChEBI Namebumetanide(1-)
Stars
DefinitionMajor species at pH 7.3 (predicted).
Last Modified26 November 2025
SubmitterR. Stephan
DownloadsMolfile
FormulaC17H19N2O5S
Net Charge-1
Average Mass363.415
Monoisotopic Mass363.10202
SMILESCCCCNc1cc(C(=O)[O-])cc(S(N)(=O)=O)c1Oc1ccccc1
InChIInChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)/p-1
InChIKeyMAEIEVLCKWDQJH-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
bumetanide(1-) (CHEBI:746982) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
3-(butylamino)-4-phenoxy-5-sulfamoylbenzoate