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CHEBI:91022 - 3-bromo-β-lapachone

ChEBI IDCHEBI:91022
ChEBI Name3-bromo-β-lapachone
Stars
ASCII Name3-bromo-beta-lapachone
DefinitionA benzochromenone that is β-lapachone in which one of the hydrogens attached to the carbon adjacent to that bearing the gem-dimethyls is replaced by a bromine.
Last Modified3 June 2016
Submittersrengel
DownloadsMolfile
FormulaC15H13BrO3
Net Charge0
Average Mass321.170
Monoisotopic Mass320.00481
SMILESCC1(C)OC2=C(CC1Br)C(=O)C(=O)c1ccccc12
InChIInChI=1S/C15H13BrO3/c1-15(2)11(16)7-10-13(18)12(17)8-5-3-4-6-9(8)14(10)19-15/h3-6,11H,7H2,1-2H3
InChIKeyAUROYOJYCLWCML-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-bromo-β-lapachone (CHEBI:91022) is a benzochromenone (CHEBI:64986)
3-bromo-β-lapachone (CHEBI:91022) is a organobromine compound (CHEBI:37141)
3-bromo-β-lapachone (CHEBI:91022) is a orthoquinones (CHEBI:25622)
IUPAC Name 
3-bromo-2,2-dimethyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione
Synonym  Source
NSC 98916ChemIDplus
Manual XrefsDatabases
WO9707797Patent
WO9708162Patent
Registry NumbersSources
Reaxys:200928Reaxys
CAS:41019-50-5ChemIDplus
Citations