5-Hydroxymebendazole (CHEBI:228548)

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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	5-Hydroxymebendazole

ChEBI ID	CHEBI:228548

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H15N3O3

Net Charge

Average Mass

297.314

Monoisotopic Mass

297.11134

InChI

InChI=1S/C16H15N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9,14,20H,1H3,(H2,17,18,19,21)

InChIKey

IIQKUGXEGMZCLE-UHFFFAOYSA-N

SMILES

OC(C1=CC=2NC(=NC2C=C1)NC(OC)=O)C3=CC=CC=C3

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	5-Hydroxymebendazole (CHEBI:228548) is a benzimidazoles (CHEBI:22715)

IUPAC Name

methyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate