Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:7207 -
N
'-acetylisoniazid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
N
'-acetylisoniazid
ChEBI ID
CHEBI:7207
ChEBI ASCII Name
N'-acetylisoniazid
Definition
A carbohydrazide resulting from the formal condensation of the carboxy group of isonicotinic acid with hydrazine and subsequent acetylation of the monosubstituted nitrogen atom.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C8H9N3O2
Net Charge
0
Average Mass
179.17608
Monoisotopic Mass
179.06948
InChI
InChI=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)
InChIKey
CVBGNAKQQUWBQV-UHFFFAOYSA-N
SMILES
CC(=O)NNC(=O)c1ccncc1
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
Sources
(N)1-Acetylisoniazid
KEGG COMPOUND
1-Acetyl-2-isonicotinoylhydrazine
ChemIDplus
Acetyl isoniazid
ChemIDplus
Acetylisoniazid
ChEBI
N
-acetyl-
N
'-isonicotinoylhydrazine
ChEBI
N-Acetylisoniazid
KEGG COMPOUND
N-Acetylisonicotinylhydrazide
ChemIDplus
Manual Xref
Database
C07585
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1078-38-2
CAS Registry Number
KEGG COMPOUND
1078-38-2
CAS Registry Number
ChemIDplus
154108
Reaxys Registry Number
Reaxys
Citation
Type
Source
12503812
PubMed citation
Europe PMC
Last Modified
21 July 2011