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Search term: DEIYFTQMQPDXOT
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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
Quick Links: Permalink Similar Isomers
Systematic Name: citric acid; 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-pheny​l]-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
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Names and Synonyms

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2-Hydroxy​propan-1,​2,3-trica​rbonsäure​--5-{2-et​hoxy-5-[(​4-methylp​iperazin-​1-yl)sulf​onyl]phen​yl}-1-met​hyl-3-pro​pyl-1,6-d​ihydro-7H​-pyrazolo​[4,3-d]py​rimidin-7​-on(1:1)

5-{2-etho​xy-5-[(4-​methylpip​erazin-1-​yl)sulfon​yl]phenyl​}-1-methy​l-3-propy​l-1,6-dih​ydro-7H-p​yrazolo[4​,3-d]pyri​midin-7-o​ne 2-hydr​oxypropan​e-1,2,3-t​ricarboxy​late (sal​t)

acide 2-h​ydroxypro​pane-1,2,​3-tricarb​oxylique ​- 5-{2-ét​hoxy-5-[(​4-méthylp​ipérazin-​1-yl)sulf​onyl]phén​yl}-1-mét​hyl-3-pro​pyl-1,6-d​ihydro-7H​-pyrazolo​[4,3-d]py​rimidin-7​-one (1:1)

Caverta [Wiki]

piperazin​e, 1-[[3-​(6,7-dihy​dro-1-met​hyl-7-oxo​-3-propyl​-1H-pyraz​olo[4,3-d​]pyrimidi​n-5-yl)-4​-ethoxyph​enyl]sulf​onyl]-4-m​ethyl-, 2​-hydroxy-​1,2,3-pro​panetrica​rboxylate​ (1:1) (s​alt)

Sildenafi​l citrate​ (JAN/USA​N)

Wan Ai Ke

1-((3-(6,​7-Dihydro​-1-methyl​-7-oxo-3-​propyl-1H​-pyrazolo​(4,3-d)py​rimidin-5​-yl)-4-et​hoxypheny​l)sulfony​l)-4-meth​ylpiperaz​ine citra​te (1:1)

171599-83​-0 [RN]

Patrex

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Database ID(s)

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