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CHEBI:77433 - α-(4-hydroxyphenyl)-N-tert-butylnitrone

ChEBI IDCHEBI:77433
ChEBI Nameα-(4-hydroxyphenyl)-N-tert-butylnitrone
Stars
ASCII Namealpha-(4-hydroxyphenyl)-N-tert-butylnitrone
DefinitionA nitrone that is the N-oxido derivative of 4-[(tert-butylimino)methyl]phenol.
Last Modified24 February 2014
Submittermziehm
DownloadsMolfile
FormulaC11H15NO2
Net Charge0
Average Mass193.246
Monoisotopic Mass193.11028
SMILESCC(C)(C)/[N+]([O-])=C/c1ccc(O)cc1
InChIInChI=1S/C11H15NO2/c1-11(2,3)12(14)8-9-4-6-10(13)7-5-9/h4-8,13H,1-3H3/b12-8-
InChIKeyPSYHRZCRICXGJJ-WQLSENKSSA-N
Roles Classification
Chemical Role:
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
Biological Role:
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
α-(4-hydroxyphenyl)-N-tert-butylnitrone (CHEBI:77433) has role antineoplastic agent (CHEBI:35610)
α-(4-hydroxyphenyl)-N-tert-butylnitrone (CHEBI:77433) has role mammalian metabolite (CHEBI:75768)
α-(4-hydroxyphenyl)-N-tert-butylnitrone (CHEBI:77433) has role radical scavenger (CHEBI:48578)
α-(4-hydroxyphenyl)-N-tert-butylnitrone (CHEBI:77433) is a nitrone (CHEBI:77477)
α-(4-hydroxyphenyl)-N-tert-butylnitrone (CHEBI:77433) is a phenols (CHEBI:33853)
IUPAC Name 
4-{[tert-butyl(oxido)-λ5-azanylidene]methyl}phenol
Synonyms  Source
4-OH-PBNChEBI
4-hydroxyphenyl-N-tert-butylnitroneChEBI
Registry NumbersSources
Reaxys:4246344Reaxys
Citations