CHEBI:140628 - secnidazole

ChEBI IDCHEBI:140628
ChEBI Namesecnidazole
Stars
DefinitionA C-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by 2-hydroxypropyl and methyl groups, respectively. It is a drug used for the treatment of trichomoniasis caused by Trichomonas vaginalis.
Secondary ChEBI IDCHEBI:94433
Last Modified17 September 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7H11N3O3
Net Charge0
Average Mass185.183
Monoisotopic Mass185.08004
SMILESCc1ncc([N+](=O)[O-])n1CC(C)O
InChIInChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3
InChIKeyKPQZUUQMTUIKBP-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
antiprotozoal drug  Any antimicrobial drug which is used to treat or prevent protozoal infections.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
Application:
antiprotozoal drug  Any antimicrobial drug which is used to treat or prevent protozoal infections.
ChEBI Ontology
Outgoing Relation(s)
secnidazole (CHEBI:140628) has role antibacterial agent (CHEBI:33282)
secnidazole (CHEBI:140628) has role antiprotozoal drug (CHEBI:35820)
secnidazole (CHEBI:140628) has role epitope (CHEBI:53000)
secnidazole (CHEBI:140628) is a C-nitro compound (CHEBI:35716)
secnidazole (CHEBI:140628) is a imidazoles (CHEBI:24780)
secnidazole (CHEBI:140628) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol
INNs  Source
secnidazolWHO MedNet
secnidazoleChemIDplus
secnidazoleWHO MedNet
secnidazolumWHO MedNet
Synonyms  Source
1-(2-methyl-5-nitro-1-imidazolyl)-2-propanolChEBI
PM-185184DrugBank
RP 14539DrugBank
RP-14539DrugBank
SYM-1219DrugBank
Brand Names  Source
FlagentylDrugCentral
SecnidalKEGG DRUG
SolosecKEGG DRUG
Manual XrefsDatabases
2427DrugCentral
D07353KEGG DRUG
DB12834DrugBank
HMDB0258202HMDB
LSM-5131LINCS
SecnidazoleWikipedia
US4920141Patent
US4925951Patent
US4925952Patent
US4957918Patent
US5549911Patent
Registry NumbersSources
Reaxys:612717Reaxys
CAS:3366-95-8ChemIDplus
Citations