IMPURITY-4
Compound with spectra: 3 NMR
| SpectraBase Compound ID | 3M6lshe30dY |
|---|---|
| InChI | InChI=1S/C28H33F7N4O2/c1-6-37(7-2)26(41)38-10-11-39(24(16-38)23-9-8-22(29)12-17(23)3)25(40)36(5)18(4)19-13-20(27(30,31)32)15-21(14-19)28(33,34)35/h8-9,12-15,18,24H,6-7,10-11,16H2,1-5H3/t18-,24-/m1/s1 |
| InChIKey | YAQZCEDKLMZTHJ-HOYKHHGWSA-N |
| Mol Weight | 590.6 g/mol |
| Molecular Formula | C28H33F7N4O2 |
| Exact Mass | 590.249173 g/mol |
| Enantiomer InChIKey | YAQZCEDKLMZTHJ-UUOWRZLLSA-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 |
IMPURITY-5
2(1H)-isoquinolinecarboxamide, 1-(4-fluorophenyl)-N-[3-[(2-furanylmethyl)amino]-3-oxopropyl]-3,4-dihydro-6,7-dimethoxy-
2-phenylethyl 1,6-dimethyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
2(1H)-isoquinolinecarboxamide, N-[(1S)-2-(cyclopropylamino)-1-methyl-2-oxoethyl]-3,4-dihydro-6,7-dimethoxy-1-(4-methoxyphenyl)-
3-Hydroxy-9,10-dimethoxyprotoberberine
#6;8,25-BIS-(4-BIS-[2-(2-PYRIDYL)-ETHYL]-AMINOBUTYL)-36,37-DIPHENYL-2,5,11,14,19,22,28,31-OCTAOXA-8,25,35,38,43,45-HEXAAZAOCTACYCLO-[30.15.2.1(35,38).0(15,41).
1,2,3,4,5,6-Hexahydro-1,5-imino-9-hydroxy-3,8,11-trimethyl-4-oxo-3-benzazocine
Benzyl 1,6-dimethyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Methyl 2-(2-(butylamino)-2-oxo-1-(N-phenyl benzamido)ethyl)benzoate
Methyl 2-(2-(cyclohexylamino)-1-(N-cyclohexyl benzamido)-2-oxoethyl)benzoate
| 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.