CHEBI:177789 - Carnidazole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Carnidazole
ChEBI ID CHEBI:177789
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H12N4O3S
Net Charge 0
Average Mass 244.270
Monoisotopic Mass 244.06301
InChI InChI=1S/C8H12N4O3S/c1-6-10-5-7(12(13)14)11(6)4-3-9-8(16)15-2/h5H,3-4H2,1-2H3,(H,9,16)
InChIKey OVEVHVURWWTPFC-UHFFFAOYSA-N
SMILES S=C(OC)NCCN1C(=NC=C1[N+]([O-])=O)C
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing Carnidazole (CHEBI:177789) is a C-nitro compound (CHEBI:35716)
Carnidazole (CHEBI:177789) is a imidazoles (CHEBI:24780)
IUPAC Name
O-methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamothioate
Manual Xrefs Databases
2297829 ChemSpider
D03408 KEGG DRUG
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Registry Number Type Source
42116-76-7 CAS Registry Number ChemIDplus