CHEBI:58987 - sildenafil citrate

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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.
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Formula C28H38N6O11S
Net Charge 0
Average Mass 666.70000
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 Январь 2013