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IMATINIB

View entire compound with spectra: 1 NMR

IMATINIB
SpectraBase Compound ID Eql2BTQnhOF
InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
InChIKey KTUFNOKKBVMGRW-UHFFFAOYSA-N
Mol Weight 493.62 g/mol
Molecular Formula C29H31N7O
Exact Mass 493.259009 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID aMOwJHXlyI
Name IMATINIB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H31N7O
InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
InChIKey KTUFNOKKBVMGRW-UHFFFAOYSA-N
Literature Reference Author S.MA,R.SUBRAMANIAN,Y.XU,M.SCHRAG,M.SHOU
Literature Reference Citation DRUG.MET.DISP.,36,2414(2008)
Literature Reference DOI 10.1124/dmd.108.023085
Molecular Weight 493.611 g/mol
Source File Reference UWLU74110