InChI=1/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)

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Inherent Properties, Identifiers and References

ChemSpider ID:	56586
Empirical Formula:	C₂₈H₃₈N₆O₁₁S
Molecular Weight:	666.6999
Nominal Mass:	666 Da
Average Mass:	666.6999 Da
Monoisotopic Mass:	666.231926 Da

Systematic Name:

citric acid; 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[5,4-e]pyrimidin-7-one

SMILES:

O=S(=O)(N1CCN(C)CC1)c4cc(C\2=N\C(=O)c3c(N/2)c(nn3C)CCC)c(OCC)cc4.O=C(O)C(O)(CC(=O)O)CC(=O)O

InChI:

InChI=1/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-UHFFFAOYAI

Original Reference(s)

Data Source	External ID(s)
ChemPacific	34449
Christopher Data	N/A
FDA	20895
PubChem	62853
Single Depositions	sildenafil citrate, VIAGRA

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Supplemental Information

Links & References

Wikipedia Article on Viagra

Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

VIAGRA [Wiki]

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 (1:1)

Caverta [Wiki]

Piperazine, 1-((3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Revatio [Wiki]

Sildenafil citrate (JAN/USAN)

Wan Ai Ke

171599-83-0 [RN]

Patrex

Penegra

Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

D02229

LS-111685

UK 92480-10

UK-92480

Predicted Properties

LogP:	ACD/LogP: 2.27	# of Rule of 5 Violations:	1
ACD/LogD (pH 5.5):	1.62	ACD/LogD (pH 7.4):	2.25
ACD/BCF (pH 5.5):	7	ACD/BCF (pH 7.4):	29.84
ACD/KOC (pH 5.5):	91.62	ACD/KOC (pH 7.4):	390.89
#H bond acceptors:	10	#H bond donors:	1
#Freely Rotating Bonds:	7	Polar Surface Area:	108.72 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	360.5 °C	Enthalpy of Vaporization:	98.77 kJ/mol
Boiling Point:	672.4 °C at 760 mmHg	Vapour Pressure:	6.1E-18 mmHg at 25°C

Images

Comments: Viagra is a commercial produced medicine containing Sildenafil citrate, which is used to treat male erectile dysfunction and pulmonary arterial hypertension.