The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

metronidazole hydrochloride
Synonyms

2-Methyl-5-nitroimidazole-1-ethanol monohydrochloride

Metronidazole HCl

2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethanol hydrochloride

C6H10ClN3O3

Flagyl

2-Methyl-5-nitroimidazole-1-ethanol hydrochloride

ID

http://purl.obolibrary.org/obo/CHEBI_50687

Definition

A hydrochloride salt resulting from the mixture of equimolar amounts of metronidazole and hydrogen chloride.

has role

http://purl.obolibrary.org/obo/CHEBI_22582

http://purl.obolibrary.org/obo/CHEBI_50685

http://purl.obolibrary.org/obo/CHEBI_36047

http://purl.obolibrary.org/obo/CHEBI_35442

http://purl.obolibrary.org/obo/CHEBI_50266

InChI

InChI=1S/C6H9N3O3.ClH/c1-5-7-4-6(9(11)12)8(5)2-3-10;/h4,10H,2-3H2,1H3;1H

InChIKey

InChIKey=FPTPAIQTXYFGJC-UHFFFAOYSA-N

label

metronidazole hydrochloride

prefixIRI

obo2:CHEBI_50687

prefLabel

metronidazole hydrochloride

SMILES

Cl.Cc1ncc(n1CCO)[N+]([O-])=O

Synonym

2-Methyl-5-nitroimidazole-1-ethanol monohydrochloride

Metronidazole HCl

2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethanol hydrochloride

C6H10ClN3O3

Flagyl

2-Methyl-5-nitroimidazole-1-ethanol hydrochloride

xref

DrugBank:DB00916

KEGG DRUG:D05016

CiteXplore:7064251

CiteXplore:7464682

Reaxys:11001903

CiteXplore:4083286

CiteXplore:4003408

ChEMBL:774820

CASRN:69198-10-3

Beilstein:11001903

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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