misonidazole (CHEBI:230671)

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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	misonidazole

ChEBI ID	CHEBI:230671

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C7H11N3O4

Net Charge

Average Mass

201.182

Monoisotopic Mass

201.07496

InChI

InChI=1S/C7H11N3O4/c1-14-5-6(11)4-9-3-2-8-7(9)10(12)13/h2-3,6,11H,4-5H2,1H3

InChIKey

OBBCSXFCDPPXOL-UHFFFAOYSA-N

SMILES

OC(CN1C(=NC=C1)[N+]([O-])=O)COC

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	misonidazole (CHEBI:230671) is a organic molecular entity (CHEBI:50860)

IUPAC Name

1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-ol