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AR-C133611XX-S-GLUCURONIDE

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AR-C133611XX-S-GLUCURONIDE
SpectraBase Compound ID 4BNfy7BYKsZ
InChI InChI=1S/C22H19ClN4O6S/c23-14-7-2-1-6-13(14)19-25-22(27(26-19)10-12-5-3-4-11(8-12)9-24)34-21-17(30)15(28)16(29)18(33-21)20(31)32/h1-8,15-18,21,28-30H,10H2,(H,31,32)/t15-,16-,17+,18-,21-/m1/s1
InChIKey XNGYOBMIQAZSDH-ZIKOTGLESA-N
Mol Weight 502.93 g/mol
Molecular Formula C22H19ClN4O6S
Exact Mass 502.071383 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E4RnAbzCz7y
Name AR-C133611XX-S-GLUCURONIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H19ClN4O6S
InChI InChI=1S/C22H19ClN4O6S/c23-14-7-2-1-6-13(14)19-25-22(27(26-19)10-12-5-3-4-11(8-12)9-24)34-21-17(30)15(28)16(29)18(33-21)20(31)32/h1-8,15-18,21,28-30H,10H2,(H,31,32)/t15-,16-,17+,18-,21-/m1/s1
InChIKey XNGYOBMIQAZSDH-ZIKOTGLESA-N
Literature Reference Author I.J.MARTIN,R.J.LEWIS,R.V.BONNERT,P.CAGE,G.C.MOODY
Literature Reference Citation DRUG.MET.DISP.,31,694(2003)
Literature Reference DOI 10.1124/dmd.31.6.694
Molecular Weight 502.929 g/mol
Source File Reference UWLU74299