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GW597599;VESTIPITANT;IMPURITY-1
SpectraBase Compound ID Gk6sasdLEwo
InChI InChI=1S/C23H24F7N3O.CH4O3S/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30;1-5(2,3)4/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3;1H3,(H,2,3,4)/t14-,20-;/m1./s1
InChIKey BHECXGHXWKHZOY-DXPOFMJKSA-N
Mol Weight 587.55 g/mol
Molecular Formula C24H28F7N3O4S
Exact Mass 587.168875 g/mol
Parent InChIKey SBBYBXSFWOLDDG-JLTOFOAXSA-N
Enantiomer InChIKey BHECXGHXWKHZOY-NRGKXMCZSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Title Journal or Book Year
Application of LC-NMR to the identification of bulk drug impurities in NK1 antagonist GW597599 (vestipitant) Magnetic Resonance in Chemistry 2010

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