EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:60726 - procainamide 4-hydroxylamine

ChEBI IDCHEBI:60726
ChEBI Nameprocainamide 4-hydroxylamine
Stars
DefinitionA benzamide obtained via formal condensation of 4-hydroxylaminobenzoic acid and 2-(diethylamino)ethylamine; a metabolite in liver microsomes.
Last Modified26 November 2010
SubmitterSteve
DownloadsMolfile
FormulaC13H21N3O2
Net Charge0
Average Mass251.330
Monoisotopic Mass251.16338
SMILESCCN(CC)CCNC(=O)c1ccc(NO)cc1
InChIInChI=1S/C13H21N3O2/c1-3-16(4-2)10-9-14-13(17)11-5-7-12(15-18)8-6-11/h5-8,15,18H,3-4,9-10H2,1-2H3,(H,14,17)
InChIKeyJBFULHOJGOVPTK-UHFFFAOYSA-N
Roles Classification
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
procainamide 4-hydroxylamine (CHEBI:60726) has role drug metabolite (CHEBI:49103)
procainamide 4-hydroxylamine (CHEBI:60726) is a benzamides (CHEBI:22702)
procainamide 4-hydroxylamine (CHEBI:60726) is a hydroxylamines (CHEBI:24709)
IUPAC Name 
N-[2-(diethylamino)ethyl]-4-(hydroxyamino)benzamide
Synonyms  Source
procainamide hydroxylamineChEBI
para-Hydroxylamine procainamideChemIDplus
4-Hydroxylamino-N,N-diethylaminoethylbenzamideChemIDplus
PAHAChEBI
Registry NumbersSources
Reaxys:8987397Reaxys
CAS:95576-27-5ChemIDplus
Citations