EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:752100 - brotianide

Default Structure
ChEBI IDCHEBI:752100
ChEBI Namebrotianide
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC15H10Br2ClNO2S
Net Charge0
Average Mass463.578
Monoisotopic Mass460.84875
SMILESCC(=O)Oc1c(Br)cc(Cl)cc1C(=S)Nc1ccc(Br)cc1
InChIInChI=1S/C15H10Br2ClNO2S/c1-8(20)21-14-12(6-10(18)7-13(14)17)15(22)19-11-4-2-9(16)3-5-11/h2-7H,1H3,(H,19,22)
InChIKeyNRFGEDASJHBPPN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
brotianide (CHEBI:752100) is a benzoate ester (CHEBI:36054)
brotianide (CHEBI:752100) is a phenols (CHEBI:33853)
INNs  Source
brotianidaWHO MedNet
brotianideWHO MedNet
Synonyms  Source
BAY 4059 VAChEMBL
BAY-4059-VAChEMBL
FBA 4059ChEMBL
FBA-4059ChEMBL