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CHEBI:133833 - benznidazole

Default Structure
ChEBI IDCHEBI:133833
ChEBI Namebenznidazole
Stars
DefinitionA monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitroimidazol-1-yl)acetic acid with the aromatic amino group of benzylamine. Used for treatment of Chagas disease.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC12H12N4O3
Net Charge0
Average Mass260.253
Monoisotopic Mass260.09094
SMILESO=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1
InChIInChI=1S/C12H12N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17)
InChIKeyCULUWZNBISUWAS-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
antileishmanial agent  An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
trypanocidal drug  A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
antiprotozoal drug  Any antimicrobial drug which is used to treat or prevent protozoal infections.
Applications:
antileishmanial agent  An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
trypanocidal drug  A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
antiprotozoal drug  Any antimicrobial drug which is used to treat or prevent protozoal infections.
ChEBI Ontology
Outgoing Relation(s)
benznidazole (CHEBI:133833) has role antileishmanial agent (CHEBI:70868)
benznidazole (CHEBI:133833) has role antiprotozoal drug (CHEBI:35820)
benznidazole (CHEBI:133833) has role trypanocidal drug (CHEBI:36335)
benznidazole (CHEBI:133833) is a C-nitro compound (CHEBI:35716)
benznidazole (CHEBI:133833) is a imidazoles (CHEBI:24780)
benznidazole (CHEBI:133833) is a monocarboxylic acid amide (CHEBI:29347)
IUPAC Name 
N-benzyl-2-(2-nitro-1H-imidazol-1-yl)acetamide
INNs  Source
benznidazolChemIDplus
benznidazoleKEGG DRUG
benznidazoleChemIDplus
benznidazolumChemIDplus
Synonyms  Source
2-Nitro-N-(phenylmethyl)-1H-imidazole-1-acetamideChemIDplus
N-Benzyl-2-nitroimidazol-1-yl-acetamideChemIDplus
N-Benzyl-2-nitroimidazole-1-acetamideChemIDplus
NSC-299972ChEMBL
RO 07-1051ChEMBL
RO-07-1051ChEMBL
Manual XrefsDatabases
322DrugCentral
BenznidazoleWikipedia
D02489KEGG DRUG
Registry NumbersSources
Reaxys:551486Reaxys
CAS:22994-85-0KEGG DRUG
CAS:22994-85-0ChemIDplus
Citations