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METHISOSILDENAFIL;1-[[3-(6,7-DIHYDRO-1-METHYL-7-OXO-3-PROPYL-1H-PYRAZOLO-[4,3-D]-PYRIMIDIN-5-YL-4-ETHOXYPHENYL]-SULFONYL]-3-(R),5-(S)-DIMETHYLPIPERAZINE
SpectraBase Compound ID HvCYpzKzRgt
InChI InChI=1S/C23H32N6O4S/c1-6-8-18-20-21(28(5)27-18)23(30)26-22(25-20)17-11-16(9-10-19(17)33-7-2)34(31,32)29-12-14(3)24-15(4)13-29/h9-11,14-15,24H,6-8,12-13H2,1-5H3,(H,25,26,30)/t14-,15+
InChIKey NFSWSZIPXJAYLR-GASCZTMLSA-N
Mol Weight 488.6 g/mol
Molecular Formula C23H32N6O4S
Exact Mass 488.220575 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AvGcMAbEFRX
Name METHISOSILDENAFIL;1-[[3-(6,7-DIHYDRO-1-METHYL-7-OXO-3-PROPYL-1H-PYRAZOLO-[4,3-D]-PYRIMIDIN-5-YL-4-ETHOXYPHENYL]-SULFONYL]-3-(R),5-(S)-DIMETHYLPIPERAZINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H32N6O4S
InChI InChI=1S/C23H32N6O4S/c1-6-8-18-20-21(28(5)27-18)23(30)26-22(25-20)17-11-16(9-10-19(17)33-7-2)34(31,32)29-12-14(3)24-15(4)13-29/h9-11,14-15,24H,6-8,12-13H2,1-5H3,(H,25,26,30)/t14-,15+
InChIKey NFSWSZIPXJAYLR-GASCZTMLSA-N
Literature Reference Author J.C.REEPMEYER,J.T.WOODRUFF,D.A.DAVIGNON
Literature Reference Citation J.PHARM.BIOM.ANAL.,43,1615(2007)
Literature Reference DOI 10.1016/j.jpba.2006.11.037
Molecular Weight 488.605 g/mol
Solvent CDCl3
Source File Reference UWDB16