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CHEBI:183111 - Acoziborole

ChEBI IDCHEBI:183111
ChEBI NameAcoziborole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H14BF4NO3
Net Charge0
Average Mass367.107
Monoisotopic Mass367.10029
SMILESCC1(C)OB(O)c2cc(NC(=O)c3ccc(F)cc3C(F)(F)F)ccc21
InChIInChI=1S/C17H14BF4NO3/c1-16(2)12-6-4-10(8-14(12)18(25)26-16)23-15(24)11-5-3-9(19)7-13(11)17(20,21)22/h3-8,25H,1-2H3,(H,23,24)
InChIKeyPTYGDEXEGLDNAZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Trypanosoma brucei (ncbitaxon:5691) cell culture (BTO:0000214) MetaboLights (MTBLS2559)
ChEBI Ontology
Outgoing Relation(s)
Acoziborole (CHEBI:183111) is a (trifluoromethyl)benzenes (CHEBI:83565)
IUPAC Name 
4-luoro-N-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-2-(triluoromethyl)benzamide
Manual XrefsDatabases
29407646ChemSpider
DB13086DrugBank
Registry NumbersSources
CAS:1266084-51-8ChemIDplus