secnidazole (CHEBI:140628)

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ChEBI Name	secnidazole

ChEBI ID	CHEBI:140628

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:94433

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Formula

C7H11N3O3

Net Charge

Average Mass

185.183

Monoisotopic Mass

185.08004

InChI

InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3

InChIKey

KPQZUUQMTUIKBP-UHFFFAOYSA-N

SMILES

CC(O)CN1C(C)=NC=C1[N+]([O-])=O

Roles Classification
Biological Role(s):	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(s):	antiprotozoal drug Any antimicrobial drug which is used to treat or prevent protozoal infections.

ChEBI Ontology
Outgoing	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

Synonyms	Sources
1-(2-methyl-5-nitro-1-imidazolyl)-2-propanol	ChEBI
PM-185184	DrugBank
RP 14539	DrugBank
RP-14539	DrugBank
SYM-1219	DrugBank

Last Modified

17 September 2024