CHEBI:6030 - isoniazide

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ChEBI Name isoniazide
ChEBI ID CHEBI:6030
Definition A carbohydrazide obtained by formal condensation between pyridine-4-carboxylic acid and hydrazine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB5102053, eMolecules:523728, Selleckchem:Isoniazid(Tubizid), ZINC000000001590
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Formula C6H7N3O
Net Charge 0
Average Mass 137.13930
Monoisotopic Mass 137.05891
InChI InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
InChIKey QRXWMOHMRWLFEY-UHFFFAOYSA-N
SMILES NNC(=O)c1ccncc1
Roles Classification
Biological Role(s): drug allergen
Any drug which causes the onset of an allergic reaction.
antitubercular agent
A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
Application(s): drug allergen
Any drug which causes the onset of an allergic reaction.
antitubercular agent
A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
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ChEBI Ontology
Outgoing isoniazide (CHEBI:6030) has functional parent isonicotinic acid (CHEBI:6032)
isoniazide (CHEBI:6030) has role antitubercular agent (CHEBI:33231)
isoniazide (CHEBI:6030) has role drug allergen (CHEBI:88188)
isoniazide (CHEBI:6030) is a carbohydrazide (CHEBI:35363)
Incoming N'-acetylisoniazid (CHEBI:7207) has functional parent isoniazide (CHEBI:6030)
IUPAC Name
pyridine-4-carbohydrazide
Synonyms Sources
4-pyridinecarbohydrazide ChEBI
isoniazid UniProt
Isoniazid KEGG COMPOUND
isonicotinic acid hydrazide NIST Chemistry WebBook
isonicotinic hydrazide ChEBI
isonicotinohydrazide NIST Chemistry WebBook
isonicotinoylhydrazide IUPAC
Isonicotinsäurehydrazid ChEBI
pyridine-4-carboxylic acid hydrazide ChEBI
Manual Xrefs Databases
1497 DrugCentral
C07054 KEGG COMPOUND
D00346 KEGG DRUG
DB00951 DrugBank
Isoniazid Wikipedia
ISONIAZIDE MetaCyc
LSM-6682 LINCS
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Registry Numbers Types Sources
119374 Reaxys Registry Number Reaxys
54-85-3 CAS Registry Number ChemIDplus
54-85-3 CAS Registry Number NIST Chemistry WebBook
82804 Gmelin Registry Number Gmelin
Citations Waiting for Citations
Last Modified
18 February 2019