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CHEBI:177564 - irdabisant

ChEBI IDCHEBI:177564
ChEBI Nameirdabisant
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23N3O2
Net Charge0
Average Mass313.401
Monoisotopic Mass313.17903
SMILESC[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)nn2)cc1
InChIInChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyXUKROCVZGZNGSI-CQSZACIVSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
irdabisant (CHEBI:177564) is a pyridazines (CHEBI:37921)
irdabisant (CHEBI:177564) is a ring assembly (CHEBI:36820)
IUPAC Name 
3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
Manual XrefsDatabases
25991416ChemSpider
D10128KEGG DRUG
DB12900DrugBank
Registry NumbersSources
CAS:1005402-19-6ChemIDplus