EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:178014 - OR-1896

ChEBI IDCHEBI:178014
ChEBI NameOR-1896
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H15N3O2
Net Charge0
Average Mass245.282
Monoisotopic Mass245.11643
SMILESCC(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1
InChIInChI=1S/C13H15N3O2/c1-8-7-12(18)15-16-13(8)10-3-5-11(6-4-10)14-9(2)17/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,18)/t8-/m1/s1
InChIKeyGDZXNMWZXLDEKG-MRVPVSSYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS1041)
ChEBI Ontology
Outgoing Relation(s)
OR-1896 (CHEBI:178014) is a acetamides (CHEBI:22160)
OR-1896 (CHEBI:178014) is a anilide (CHEBI:13248)
IUPAC Name 
N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
Manual XrefsDatabases
7992046ChemSpider
HMDB0060861HMDB
Registry NumbersSources
CAS:220246-81-1ChemIDplus