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LAMOTRIGINE-N2-GLUCURONIDE

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LAMOTRIGINE-N2-GLUCURONIDE
SpectraBase Compound ID YKtovMQ7Et
InChI InChI=1S/C15H16Cl2N5O6/c16-5-3-1-2-4(6(5)17)7-12(18)20-15(19)22(21-7)13-10(25)8(23)9(24)11(28-13)14(26)27/h1-3,8-11,13,23-25H,(H,26,27)(H4,18,19,20)/t8-,9-,10+,11-,13?/m1/s1
InChIKey MHGNUKLJXPVIJT-TWEVDUBQSA-N
Mol Weight 433.23 g/mol
Molecular Formula C15H16Cl2N5O6
Exact Mass 432.047764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FbZ13ZN9ecy
Name LAMOTRIGINE-N2-GLUCURONIDE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H16Cl2N5O6
InChI InChI=1S/C15H16Cl2N5O6/c16-5-3-1-2-4(6(5)17)7-12(18)20-15(19)22(21-7)13-10(25)8(23)9(24)11(28-13)14(26)27/h1-3,8-11,13,23-25H,(H,26,27)(H4,18,19,20)/t8-,9-,10+,11-,13?/m1/s1
InChIKey MHGNUKLJXPVIJT-TWEVDUBQSA-N
Literature Reference Author A.M.ESMURZIEV,A.REIMERS,T.ANDREASSEN,N.SIMIC,E.SUNDBY,B.H.HO FF
Literature Reference Citation MOLECULES,17,820(2012)
Literature Reference DOI 10.3390/molecules17010820
Molecular Weight 433.228 g/mol
Sample ID 73005
Solvent H2O:D2O=9:1