CHEBI:58987 - sildenafil citrate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name sildenafil citrate
ChEBI ID CHEBI:58987
Definition The citrate salt of sildenafil.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C28H38N6O11S
Net Charge 0
Average Mass 666.70000
Monoisotopic Mass 666.232
InChI InChI=1S/C22H30N6O4S.C6H8O7/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey DEIYFTQMQPDXOT-UHFFFAOYSA-N
SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Roles Classification
Biological Role(s): EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor
An EC 3.1.4.* (phosphoric diester hydrolase) inhibitor that blocks the action of 3',5'-cyclic-GMP phosphodiesterase (EC 3.1.4.35).
Application(s): vasodilator agent
A drug used to cause dilation of the blood vessels.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing sildenafil citrate (CHEBI:58987) has part sildenafil (CHEBI:9139)
sildenafil citrate (CHEBI:58987) has role EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor (CHEBI:71942)
sildenafil citrate (CHEBI:58987) has role vasodilator agent (CHEBI:35620)
sildenafil citrate (CHEBI:58987) is a citrate salt (CHEBI:50744)
IUPAC Name
5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one 2-hydroxypropane-1,2,3-tricarboxylate
Synonym Source
1-((3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine citrate ChemIDplus
Database Links Databases
D02229 KEGG DRUG
DB00203 DrugBank
Sildenafil_Citrate Wikipedia
View more database links
Registry Numbers Types Sources
171599-83-0 CAS Registry Number ChemIDplus
171599-83-0 CAS Registry Number KEGG DRUG
9892846 Beilstein Registry Number Beilstein
Last Modified
28 enero 2013