EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:7207 - N'-acetylisoniazid

ChEBI IDCHEBI:7207
ChEBI NameN'-acetylisoniazid
Stars
ASCII NameN'-acetylisoniazid
DefinitionA carbohydrazide resulting from the formal condensation of the carboxy group of isonicotinic acid with hydrazine and subsequent acetylation of the monosubstituted nitrogen atom.
Last Modified21 July 2011
DownloadsMolfile
FormulaC8H9N3O2
Net Charge0
Average Mass179.179
Monoisotopic Mass179.06948
SMILESCC(=O)NNC(=O)c1ccncc1
InChIInChI=1S/C8H9N3O2/c1-6(12)10-11-8(13)7-2-4-9-5-3-7/h2-5H,1H3,(H,10,12)(H,11,13)
InChIKeyCVBGNAKQQUWBQV-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
N'-acetylisoniazid (CHEBI:7207) has functional parent isoniazide (CHEBI:6030)
N'-acetylisoniazid (CHEBI:7207) has role metabolite (CHEBI:25212)
N'-acetylisoniazid (CHEBI:7207) is a carbohydrazide (CHEBI:35363)
IUPAC Name 
N'-acetylpyridine-4-carbohydrazide
Synonyms  Source
N-AcetylisoniazidKEGG COMPOUND
(N)1-AcetylisoniazidKEGG COMPOUND
1-Acetyl-2-isonicotinoylhydrazineChemIDplus
Acetyl isoniazidChemIDplus
AcetylisoniazidChEBI
N-AcetylisonicotinylhydrazideChemIDplus
Manual XrefsDatabases
C07585KEGG COMPOUND
Registry NumbersSources
Reaxys:154108Reaxys
CAS:1078-38-2KEGG COMPOUND
CAS:1078-38-2ChemIDplus
Citations