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9-[(1S,2R)-2-FLUORO-1-METHYLPROPYL]-2-METHOXY-6-(N-O-GLUCURONIDE-PIPERAZINE)-PURINE-HYDROCHLORIDE
SpectraBase Compound ID KWhC92QWINR
InChI InChI=1S/C20H29FN6O8.ClH/c1-9(21)10(2)27-8-22-11-16(23-20(33-3)24-17(11)27)25-4-6-26(7-5-25)35-19-14(30)12(28)13(29)15(34-19)18(31)32;/h8-10,12-15,19,28-30H,4-7H2,1-3H3,(H,31,32);1H/t9-,10+,12-,13-,14+,15-,19-;/m1./s1
InChIKey SINMUGATSQWLDV-FNTPVJBRSA-N
Mol Weight 536.95 g/mol
Molecular Formula C20H30ClFN6O8
Exact Mass 536.179768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JL6p1J15TW5
Name 9-[(1S,2R)-2-FLUORO-1-METHYLPROPYL]-2-METHOXY-6-(N-O-GLUCURONIDE-PIPERAZINE)-PURINE-HYDROCHLORIDE
Compound Number 3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30ClFN6O8
InChI InChI=1S/C20H29FN6O8.ClH/c1-9(21)10(2)27-8-22-11-16(23-20(33-3)24-17(11)27)25-4-6-26(7-5-25)35-19-14(30)12(28)13(29)15(34-19)18(31)32;/h8-10,12-15,19,28-30H,4-7H2,1-3H3,(H,31,32);1H/t9-,10+,12-,13-,14+,15-,19-;/m1./s1
InChIKey SINMUGATSQWLDV-FNTPVJBRSA-N
Literature Reference Author R.R.MILLER,G.A.DOSS,R.A.STEARNS
Literature Reference Citation DRUG.MET.DISP.,32,178(2004)
Literature Reference DOI 10.1124/dmd.32.2.178
Molecular Weight 536.945 g/mol
Source File Reference UWLU74282