CHEBI:177793 - Atopaxar

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Atopaxar
ChEBI ID CHEBI:177793
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H38FN3O5
Net Charge 0
Average Mass 527.637
Monoisotopic Mass 527.27955
InChI InChI=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
InChIKey QWKAUGRRIXBIPO-UHFFFAOYSA-N
SMILES FC1=C2C(CN(CC(=O)C3=CC(C(C)(C)C)=C(OC)C(N4CCOCC4)=C3)C2=N)=CC(OCC)=C1OCC
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
28528674 ChemSpider
D09866 KEGG DRUG
DB12046 KEGG DRUG
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Registry Number Type Source
751475-53-3 CAS Registry Number ChemIDplus