GW597599;VESTIPITANT;IMPURITY-1
Compound with spectra: 3 NMR
| 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 |
Isoquinoline, 1,2,3,4-tetrahydro-1-(phenylmethyl)-2-(triphenylacetyl)-
(2E)-1-[2-(2,2-Dimethylpropanoyl)-1,2,3,4-tetrahydro-1-isoquinolinyl]-3-phenyl-2-propen-1-ol
2-(4-BROMOPHENYL)-3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-1-CARBOXAMIDE
N-butyl-2-(4-methylbenzyl)-3-oxoisoindoline-1-carboxamide
3-OXO-2-PHENYL-2,3-DIHYDRO-1H-ISOINDOLE-1-CARBOXAMIDE
N-Cyclohexyl-3-oxo-2-propylisoindoline-1-carboxamide
WPTGQYCCXLCVKS-BFFRAMDSSA-N
1H-isoindole-2-acetamide, N-[2-(3,4-diethoxyphenyl)ethyl]-2,3-dihydro-1-oxo-alpha-phenyl-
6-Chloro-3-ethyl-8-methyl-2-phenyl-2,3-dihydroquinazolin-4(1H)-one
5,5-BIS[(3,4-METHYLENEDIOXY)PHENYL]HYDANTOIN
| 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 |
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.