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CHEBI:228609 - Acetylvardenafil

ChEBI IDCHEBI:228609
ChEBI NameAcetylvardenafil
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34N6O3
Net Charge0
Average Mass466.586
Monoisotopic Mass466.26924
SMILESCCCc1nc(C)c2c(=O)nc(-c3cc(C(=O)CN4CCN(CC)CC4)ccc3OCC)nn12
InChIInChI=1S/C25H34N6O3/c1-5-8-22-26-17(4)23-25(33)27-24(28-31(22)23)19-15-18(9-10-21(19)34-7-3)20(32)16-30-13-11-29(6-2)12-14-30/h9-10,15H,5-8,11-14,16H2,1-4H3,(H,27,28,33)
InChIKeyXWSVFUHSNIIXMW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
Acetylvardenafil (CHEBI:228609) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
2-[2-ethoxy-5-[2-(4-ethylpiperazin-1-yl)acetyl]phenyl]-5-methyl-7-propyl-3H-imidazo[5,1-][1,2,4]triazin-4-one
Manual XrefsDatabases
35467088ChemSpider