CHEBI:177696 - minalrestat

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 minalrestat
ChEBI ID CHEBI:177696
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H11BrF2N2O4
Net Charge 0
Average Mass 449.208
Monoisotopic Mass 447.98703
InChI InChI=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)
InChIKey BMHZAHGTGIZZCT-UHFFFAOYSA-N
SMILES BrC1=CC(F)=C(CN2C(=O)C3(CC(=O)NC3=O)C4=C(C2=O)C=CC(F)=C4)C=C1
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
165724 ChemSpider
D03805 KEGG DRUG
View more database links
Registry Number Type Source
129688-50-2 CAS Registry Number ChemIDplus