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HKI-272;N-[4-[3-CHLORO-4-(2-PYRIDINYLMETHOXY)-ANILINO]-3-CYANO-7-ETHOXY-6-QUINOLYL]-4-(DIMETHYLAMINO)-2-BUTENAMIDE
SpectraBase Compound ID Dqe0fXKIPem
InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
InChIKey JWNPDZNEKVCWMY-VQHVLOKHSA-N
Mol Weight 557.05 g/mol
Molecular Formula C30H29ClN6O3
Exact Mass 556.198967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Ej4BwVaCBa
Name HKI-272;N-[4-[3-CHLORO-4-(2-PYRIDINYLMETHOXY)-ANILINO]-3-CYANO-7-ETHOXY-6-QUINOLYL]-4-(DIMETHYLAMINO)-2-BUTENAMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H29ClN6O3
InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
InChIKey JWNPDZNEKVCWMY-VQHVLOKHSA-N
Literature Reference Author J.WANG,X.X.LI-CHAN,J.ATHERTON,L.DENG,R.ESPINA,L.YU,P.HORWATT ,S.ROSS,S.LOCKHEAD,S
Literature Reference Citation DRUG.MET.DISP.,38,1083(2010)
Literature Reference DOI 10.1124/dmd.110.032292
Molecular Weight 557.052 g/mol
Source File Reference UWLU74049