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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | metronidazole hydrochloride | |
| Synonyms |
2-Methyl-5-nitroimidazole-1-ethanol monohydrochloride Metronidazole HCl Flagyl 2-Methyl-5-nitroimidazole-1-ethanol hydrochloride 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethanol hydrochloride |
|
| Definitions |
A hydrochloride salt resulting from the mixture of equimolar amounts of metronidazole and hydrogen chloride. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50687 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:7064251 DrugBank:DB00916 CAS:69198-10-3 PMID:7464682 PMID:4083286 KEGG:D05016 Reaxys:11001903 PMID:4003408
|
|
| definition |
A hydrochloride salt resulting from the mixture of equimolar amounts of metronidazole and hydrogen chloride.
|
|
| formula |
C6H10ClN3O3
|
|
| has part | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_50685 http://purl.obolibrary.org/obo/CHEBI_33281 http://purl.obolibrary.org/obo/CHEBI_36047 http://purl.obolibrary.org/obo/CHEBI_171664 |
|
| has_exact_synonym |
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethanol hydrochloride
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
2-Methyl-5-nitroimidazole-1-ethanol monohydrochloride Metronidazole HCl Flagyl 2-Methyl-5-nitroimidazole-1-ethanol hydrochloride
|
|
| id |
CHEBI:50687
|
|
| in_subset | ||
| 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 |
FPTPAIQTXYFGJC-UHFFFAOYSA-N
|
|
| label |
metronidazole hydrochloride
|
|
| mass |
207.61500
|
|
| monoisotopicmass |
207.04107
|
|
| notation |
CHEBI:50687
|
|
| prefLabel |
metronidazole hydrochloride
|
|
| smiles |
Cl.Cc1ncc(n1CCO)[N+]([O-])=O
|
|
| treeView | ||
| subClassOf |
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