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CHEBI:181451 - Ipronidazole

Default Structure
ChEBI IDCHEBI:181451
ChEBI NameIpronidazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H11N3O2
Net Charge0
Average Mass169.184
Monoisotopic Mass169.08513
SMILESCC(C)c1ncc([N+](=O)[O-])n1C
InChIInChI=1S/C7H11N3O2/c1-5(2)7-8-4-6(9(7)3)10(11)12/h4-5H,1-3H3
InChIKeyNTAFJUSDNOSFFY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Ipronidazole (CHEBI:181451) is a C-nitro compound (CHEBI:35716)
Ipronidazole (CHEBI:181451) is a imidazoles (CHEBI:24780)
IUPAC Name 
1-methyl-5-nitro-2-propan-2-ylimidazole
Manual XrefsDatabases
25097ChemSpider
D04608KEGG DRUG
Registry NumbersSources
CAS:14885-29-1ChemIDplus