sildenafil citrate (CHEBI:58987)

CHEBI:58987 - sildenafil citrate

ChEBI ID	CHEBI:58987
ChEBI Name	sildenafil citrate
Stars
Definition	The citrate salt of sildenafil.
Last Modified	7 April 2020
Submitter	Steve
Downloads	Molfile

Formula	C22H30N6O4S.C6H8O7
Net Charge	0
Average Mass	666.710
Monoisotopic Mass	666.23193
SMILES	CCCc1nn(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.O=C(O)CC(O)(CC(=O)O)C(=O)O
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

Wikipedia

Roles Classification

antiviral agent A substance that destroys or inhibits replication of viruses.

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).

ophthalmology drug Any compound used for the treatment of eye conditions or eye diseases.

vasodilator agent A drug used to cause dilation of the blood vessels.

neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders.

cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.

antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	sildenafil citrate (CHEBI:58987) has part sildenafil (CHEBI:9139)
	sildenafil citrate (CHEBI:58987) has role antihypertensive agent (CHEBI:35674)
	sildenafil citrate (CHEBI:58987) has role antineoplastic agent (CHEBI:35610)
	sildenafil citrate (CHEBI:58987) has role antiviral agent (CHEBI:22587)
	sildenafil citrate (CHEBI:58987) has role cardiovascular drug (CHEBI:35554)
	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 neuroprotective agent (CHEBI:63726)
	sildenafil citrate (CHEBI:58987) has role ophthalmology drug (CHEBI:66981)
	sildenafil citrate (CHEBI:58987) has role vasodilator agent (CHEBI:35620)
	sildenafil citrate (CHEBI:58987) is a citrate salt (CHEBI:50744)
	sildenafil citrate (CHEBI:58987) is a organic molecular entity (CHEBI:50860)
	sildenafil citrate (CHEBI:58987) is a sulfonamide (CHEBI:35358)

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

Synonyms	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
Aphrodil	ChEMBL
Liqrev	ChEMBL
NSC-744009	ChEMBL
NSC-758669	ChEMBL
Sildenafil (as citrate)	ChEMBL

Citations