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1 hit(s) found in 0.14 seconds Search term: 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) Found by conversion query string to chemical structure (full match)
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ChemSpider ID: |
56586
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Empirical Formula: |
C28H38N6O11S
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Molecular Weight: |
666.6999
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Nominal Mass: |
666
Da
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Average Mass: |
666.6999
Da
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Monoisotopic Mass: |
666.231926
Da
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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
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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
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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)
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InChIKey: |
DEIYFTQMQPDXOT-UHFFFAOYAI
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users,
Redirected by Users, Redirect Approved by Experts
2-Hydroxypropan-1,2,3-tricarbonsäure--5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-on(1:1)
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 (salt)
acide 2-hydroxypropane-1,2,3-tricarboxylique - 5-{2-éthoxy-5-[(4-méthylpipérazin-1-yl)sulfonyl]phényl}-1-méthyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one (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) (salt)
Sildenafil citrate (JAN/USAN)
Wan Ai Ke
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)
171599-83-0
[RN]
Patrex
More...
Penegra
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
Viagra
[Wiki]
Less...
Validated by Experts, Validated by Users, Non-Validated, Removed by Users,
Redirected by Users, Redirect Approved by Experts
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LogP: |
ACD/LogP:
2.27
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# of Rule of 5 Violations: |
1
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ACD/LogD (pH 5.5): |
1.62
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ACD/LogD (pH 7.4): |
2.25
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ACD/BCF (pH 5.5): |
7
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ACD/BCF (pH 7.4): |
29.84
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ACD/KOC (pH 5.5): |
91.62
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ACD/KOC (pH 7.4): |
390.89
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#H bond acceptors: |
10
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#H bond donors: |
1
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#Freely Rotating Bonds: |
7
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Polar Surface Area: |
108.72
Å2
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Index of Refraction: |
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Molar Refractivity: |
cm3
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Molar Volume: |
cm3
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Polarizability: |
10-24cm3
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Surface Tension: |
dyne/cm
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Density: |
g/cm3
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Flash Point: |
360.5
°C
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Enthalpy of Vaporization: |
98.77
kJ/mol
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Boiling Point: |
672.4
°C at 760 mmHg
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Vapour Pressure: |
6.1E-18
mmHg at 25°C
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Comments: Viagra is a commercial produced medicine containing Sildenafil citrate, which is used to treat male erectile dysfunction and pulmonary arterial hypertension.
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