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Sildenafil citrate
SpectraBase Compound ID JPie9A2JSQM
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
Mol Weight 666.7 g/mol
Molecular Formula C28H38N6O11S
Exact Mass 666.231927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 37FQdFmFEQC
Name SILDENAFIL_CITRATE;SC;;1-[[3-(6,7-DIHYDRO-1-METHYL-7-OXO-3-PROPYL-1-H-PYRAZOLE-[4.3-D]-PYRIMIDIN-5-YL)-4-ETHOXYPHENYL)-SULFONYL)-4-METHYLPIPERAZINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H38N6O11S
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
Literature Reference Author I.WAVER,M.PISKLAK,Z.CHILMONCZYK
Literature Reference Citation J.PHARM.BIOM.ANAL.,38,865(2005)
Literature Reference DOI 10.1016/j.jpba.2005.01.046
Molecular Weight 666.703 g/mol
Solvent DMSO-D6
Source File Reference UWMZ44353