Rofecoxib
Compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 7 MS (GC)
| SpectraBase Compound ID | 7bq6XTVIy1O |
|---|---|
| InChI | InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3 |
| InChIKey | RZJQGNCSTQAWON-UHFFFAOYSA-N |
| Mol Weight | 314.36 g/mol |
| Molecular Formula | C17H14O4S |
| Exact Mass | 314.06128 g/mol |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Merck & Co., Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | MRK 74 tablet |
| Copyright | Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique | GC/MS |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SWG-33-2003-0 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Merck & Co., Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | MRK 74 tablet |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3_OR_DMSO-D6 |
- Vioxx®
- VIOXX
- ROFECOXIB;4-[4-(METHYLSULPHONYL)-PHENYL]-3-PHENYL-FURAN-2-ONE
- ROFECOXIB;3-PHENYL-4-[4-(METHYLSULFONYL)-PHENYL]-2-(5H)-FURANONE
- 2(5H)-furanone, 4-(4-(methylsulfonyl)phenyl)-3-phenyl-
- 4-(4-Methylsulfonylphenyl)-3-phenyl-5H-furan-2-one
Ethyl 3,3-bis(4-isopropoxyphenyl)-2-p-tolylacrylate
3-(4-Aminophenyl)-4-isobutylfuran-2,5-dione
5-Cyclopropyl-4-methyl-3-phenyl-2(5H)-furanone
3-Chloro-4-(3'-chloro-4'-methoxyphenyl)-2(5H)-furanone
3-Bromo-4-(3-chloro-4-methoxyphenyl)-2(5H)-furanone
2-(E)-(2-carboxylate p-methoxystyryl)-5-(E)-(2-carbomethoxystyryl)thiophene
4-[4-Methyl-2-(1-methylethyl)-5-oxo-2,5-dihydrofuran-3-yl]benzonitrile
2-Methoxycarbonyl-3-phenyl-2-pentenoic acid, G-lactone
cis-3-(2,3-Dimethoxyphenyl)-2-phenylacrylic acid
4-[4-Methyl-2-(1-methylethyl)-5-oxo-2,5-dihydrofuran-3-yl]benzaldehyde
| Title | Journal or Book | Year |
|---|---|---|
| Isolation and characterisation of process-related impurities in rofecoxib | Journal of Pharmaceutical and Biomedical Analysis | 2002 |
This compound is available in the following databases:
Mass Spectra of Designer Drugs 2024
Author: Peter Rösner
This library enables fast and reliable identification of the latest illegal designer drugs. It is updated annually. Learn more.
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.
KnowItAll IR, Raman, and UV-Vis Spectral Libraries
Author: Wiley
The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.
KnowItAll Mass Spectral Library
Author: Wiley
The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.
Maurer, Meyer, Pfleger, Weber: GC-MS Library of Drugs, Poisons, and Their Metabolites 6th Edition
Author: Hans H. Maurer, Markus Meyer, Karl Pfleger, Armin A. Weber
Identification of trace drugs, poisons, and pollutants requires broad coverage of specific compound classes: metabolites, acetylated, methylated, trimethylsilylated, trifluoroacetylated, pentafluoropropionylated, and heptafluorobutyrylated compounds. Learn more.
Wiley Registry of Mass Spectral Data 2023
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.
Maurer, Meyer, Helfer, Weber: LC-HR-MS & MS Library of Drugs, Poisons, and Their Metabolites
Author: Hans H. Maurer, Markus Meyer, Andreas G. Helfer, Armin A. Weber
Developed by toxicologist Hans H. Maurer and his team, the Maurer/Meyer/Helfer/Weber LC-HR-MS/MS Library of Drugs, Poisons, and Their Metabolites consists of spectra for parent drugs or poisons, and their metabolites or artifacts, in various compound classification groups. This metabolite-based library helps minimize the risk of false negative LC-MS results. Learn more.