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CHEBI:140628 - secnidazole

Default Structure
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.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
antiprotozoal drug  Any antimicrobial drug which is used to treat or prevent protozoal infections.
Applications:
antiprotozoal drug  Any antimicrobial drug which is used to treat or prevent protozoal infections.
antiamoebic agent  An antiparasitic agent which is effective against amoeba, a genus of single-celled amoeboids in the family Amoebidae.
ChEBI Ontology
Outgoing Relation(s)
secnidazole (CHEBI:140628) has role antiamoebic agent (CHEBI:171664)
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
secnidazoleWHO MedNet
secnidazoleChemIDplus
secnidazolumWHO MedNet
Synonyms  Source
1-(2-methyl-5-nitro-1-imidazolyl)-2-propanolChEBI
NSC-759812ChEMBL
Ornidazole metabolite m4ChEMBL
PM-185184DrugBank
RP 14539DrugBank
RP-14539DrugBank
Brand Names  Source
DeprozolChEMBL
FlagentylDrugCentral
SabimaChEMBL
SecnidalKEGG DRUG
SecnolChEMBL
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