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CHEBI:186525 - hydroxynefazodone

ChEBI IDCHEBI:186525
ChEBI Namehydroxynefazodone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32ClN5O3
Net Charge0
Average Mass486.016
Monoisotopic Mass485.21937
SMILESCC(O)c1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1
InChIInChI=1S/C25H32ClN5O3/c1-20(32)24-27-31(25(33)30(24)17-18-34-23-9-3-2-4-10-23)12-6-11-28-13-15-29(16-14-28)22-8-5-7-21(26)19-22/h2-5,7-10,19-20,32H,6,11-18H2,1H3
InChIKeyVKGQYGXMUUBRBD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
hydroxynefazodone (CHEBI:186525) is a piperazines (CHEBI:26144)
IUPAC Name 
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-4-(2-phenoxyethyl)-1,2,4-triazol-3-one
Manual XrefsDatabases
HMDB0061040HMDB
9929840ChemSpider
Registry NumbersSources
CAS:98159-82-1ChemIDplus