CHEBI:228609 - Acetylvardenafil

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Acetylvardenafil
ChEBI ID CHEBI:228609
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H34N6O3
Net Charge 0
Average Mass 466.586
Monoisotopic Mass 466.26924
InChI InChI=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)
InChIKey XWSVFUHSNIIXMW-UHFFFAOYSA-N
SMILES O=C(CN1CCN(CC1)CC)C2=CC(C=3NC(=O)C=4N(N3)C(=NC4C)CCC)=C(OCC)C=C2
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
35467088 ChemSpider
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