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CHEBI:177430 - Setipiprant

ChEBI IDCHEBI:177430
ChEBI NameSetipiprant
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H19FN2O3
Net Charge0
Average Mass402.425
Monoisotopic Mass402.13797
SMILESO=C(O)Cn1c2c(c3cc(F)ccc31)CN(C(=O)c1cccc3ccccc13)CC2
InChIInChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)
InChIKeyIHAXLPDVOWLUOS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Setipiprant (CHEBI:177430) is a naphthalenecarboxamide (CHEBI:48739)
IUPAC Name 
2-[8-luoro-2-(naphthalene-1-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid
Manual XrefsDatabases
D10326KEGG DRUG
29738718ChemSpider
DB12562DrugBank
Registry NumbersSources
CAS:866460-33-5ChemIDplus