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CHEBI:177708 - Eptapirone

ChEBI IDCHEBI:177708
ChEBI NameEptapirone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H23N7O2
Net Charge0
Average Mass345.407
Monoisotopic Mass345.19132
SMILESCn1c(=O)cnn(CCCCN2CCN(c3ncccn3)CC2)c1=O
InChIInChI=1S/C16H23N7O2/c1-20-14(24)13-19-23(16(20)25)8-3-2-7-21-9-11-22(12-10-21)15-17-5-4-6-18-15/h4-6,13H,2-3,7-12H2,1H3
InChIKeyNMYAHEULKSYAPP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Eptapirone (CHEBI:177708) is a N-arylpiperazine (CHEBI:46848)
IUPAC Name 
4-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2,4-triazine-3,5-dione
Manual XrefsDatabases
D02576KEGG DRUG
181024ChemSpider
Registry NumbersSources
CAS:179756-85-5ChemIDplus