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CHEBI:177765 - reparixin

ChEBI IDCHEBI:177765
ChEBI Namereparixin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H21NO3S
Net Charge0
Average Mass283.393
Monoisotopic Mass283.12421
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)/t11-/m1/s1
InChIKeyKQDRVXQXKZXMHP-LLVKDONJSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
reparixin (CHEBI:177765) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(2R)-2-[4-(2-methylpropyl)phenyl]-N-methylsulonylpropanamide
Manual XrefsDatabases
D08984KEGG DRUG
LSM-45694LINCS
8014432ChemSpider
DB12614DrugBank
Registry NumbersSources
CAS:266359-83-5ChemIDplus