CHEBI:166538 - Metronidazole-OH

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Metronidazole-OH
ChEBI ID CHEBI:166538
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C6H9N3O4
Net Charge 0
Average Mass 187.155
Monoisotopic Mass 187.05931
InChI InChI=1S/C6H9N3O4/c10-2-1-8-5(4-11)7-3-6(8)9(12)13/h3,10-11H,1-2,4H2
InChIKey AEHPOYAOLCAMIU-UHFFFAOYSA-N
SMILES OCCN1C(=NC=C1[N+]([O-])=O)CO
ChEBI Ontology
Outgoing Metronidazole-OH (CHEBI:166538) is a C-nitro compound (CHEBI:35716)
Metronidazole-OH (CHEBI:166538) is a imidazoles (CHEBI:24780)
IUPAC Name
2-[2-(hydroxymethyl)-5-nitroimidazol-1-yl]ethanol
Manual Xref Database
108713 ChemSpider
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Registry Number Type Source
4812-40-2 CAS Registry Number ChemIDplus