secnidazole (CHEBI:140628)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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.

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

Supplier Information

Download	Molfile XML SDF

Wikipedia	License

Read full article at Wikipedia

Formula

C7H11N3O3

Net Charge

Average Mass

185.181

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

C=1(N(C(=NC1)C)CC(C)O)[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.

ChEBI Ontology
Outgoing	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

Last Modified

26 June 2018