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CHEBI:177793 - Atopaxar

ChEBI IDCHEBI:177793
ChEBI NameAtopaxar
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38FN3O5
Net Charge0
Average Mass527.637
Monoisotopic Mass527.27955
SMILESCCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CCOCC3)c(OC)c(C(C)(C)C)c1)C2
InChIInChI=1S/C29H38FN3O5/c1-7-37-23-15-19-16-33(28(31)24(19)25(30)27(23)38-8-2)17-22(34)18-13-20(29(3,4)5)26(35-6)21(14-18)32-9-11-36-12-10-32/h13-15,31H,7-12,16-17H2,1-6H3
InChIKeyQWKAUGRRIXBIPO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Atopaxar (CHEBI:177793) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-(5,6-diethoxy-4-luoro-3-imino-1H-isoindol-2-yl)ethanone
Manual XrefsDatabases
28528674ChemSpider
D09866KEGG DRUG
DB12046DrugBank
Registry NumbersSources
CAS:751475-53-3ChemIDplus