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CHEBI:177696 - minalrestat

ChEBI IDCHEBI:177696
ChEBI Nameminalrestat
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H11BrF2N2O4
Net Charge0
Average Mass449.207
Monoisotopic Mass447.98703
SMILESO=C1CC2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1ccc(F)cc12
InChIInChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)
InChIKeyBMHZAHGTGIZZCT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
minalrestat (CHEBI:177696) is a isoquinolines (CHEBI:24922)
IUPAC Name 
2-[(4-bromo-2-luorophenyl)methyl]-6-luorospiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone
Manual XrefsDatabases
D03805KEGG DRUG
165724ChemSpider
Registry NumbersSources
CAS:129688-50-2ChemIDplus