CHEBI:229886 - gisadenafil

ChEBI IDCHEBI:229886
ChEBI Namegisadenafil
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H33N7O5S
Net Charge0
Average Mass519.628
Monoisotopic Mass519.22639
SMILESCCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc(=O)c2nn(CCOC)c(CC)c2n1
InChIInChI=1S/C23H33N7O5S/c1-5-18-19-20(27-30(18)12-13-34-4)22(31)26-21(25-19)17-14-16(15-24-23(17)35-7-3)36(32,33)29-10-8-28(6-2)9-11-29/h14-15H,5-13H2,1-4H3,(H,25,26,31)
InChIKeyYPFZMBHKIVDSNR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
gisadenafil (CHEBI:229886) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulonylpyridin-3-yl]-3-ethyl-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
Manual XrefsDatabases
8068530ChemSpider
D09621KEGG DRUG
DB11902DrugBank