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DEFERASIROX
SpectraBase Compound ID 2fJXs1b5Gdw
InChI InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28)
InChIKey BOFQWVMAQOTZIW-UHFFFAOYSA-N
Mol Weight 373.37 g/mol
Molecular Formula C21H15N3O4
Exact Mass 373.106256 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 89YxXIxGZ5F
Name DEFERASIROX;EXJADE;ICL670;CGP72670;4-[3,5-BIS-(2-HYDROXYPHENYL)-[1,2,4]-TRIAZOL-1-YL]-BENZOIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H15N3O4
InChI InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28)
InChIKey BOFQWVMAQOTZIW-UHFFFAOYSA-N
Literature Reference Author G.J.M.BRUIN,T.FALLER,H.WIEGAND,A.SCHWEITZER,H.NICK,J.SCHNEID ER,K.O.BOERNSEN,F.WA
Literature Reference Citation DRUG.MET.DISP.,36,2523(2008)
Literature Reference DOI 10.1124/dmd.108.022962
Molecular Weight 373.368 g/mol
Source File Reference UWLU74112