Ornidazole
Compound with spectra: 3 NMR, 1 FTIR, 1 Raman, and 7 MS (GC)
| SpectraBase Compound ID | JhHywkC9H4K |
|---|---|
| InChI | InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3 |
| InChIKey | IPWKIXLWTCNBKN-UHFFFAOYSA-N |
| Mol Weight | 219.63 g/mol |
| Molecular Formula | C7H10ClN3O3 |
| Exact Mass | 219.041069 g/mol |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| 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 © 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 © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | O5879 |
| 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 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | O5879 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
- AVRAZOR, 1-Chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol
- Avrazor
- 1-Chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol
- IPWKIXLWTCNBKN-UHFFFAOYSA-N
- ORNIDAZOLE;1-(3-CHLORO-2-HYDROXY-PROPYL)-2-METHYL-5-NITRO-IMIDAZOLE
- 1-(3-CHLORO-2-HYDROXYPROPYL)-2-METHYL-5-NITROIMIDAZOLE
- 1H-Imidazole-1-ethanol, .alpha.-(chloromethyl)-2-methyl-5-nitro-
METHYL-3-(2-METHYL-5-NITRO-1H-IMIDAZOL-1-YL)-PROPANOATE
1H-Tetrazole, 5-[2-(2-methyl-5-nitroimidazol-1-yl)-ethyl]-
Metronidazole-M (HOOC-) ME
(-)-(S)-1-(2-methyl-5-nitro-imidazol-1-yl)-propan-2-ol
(-)-(R)-1-(2-methyl-5-nitro-imidazol-1-yl)-propan-2-ol
1-[2-(2-METHYL-5-NITRO-IMIDAZOL-1-YL)-ETHYL]-PYRIDINIUM-CHLORIDE
[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamic acid, isopropyl ester
[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamic acid, butyl ester
[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamic acid, pentyl ester
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)acetylhydrazide
| Title | Journal or Book | Year |
|---|---|---|
| Substituent effects on the15N NMR Parameters of Azoles | Magnetic Resonance in Chemistry | 1997 |
| Synthèse de derivès du nitro-5 imidazole potentiellement actifs en chimiothèrapie | Journal of Heterocyclic Chemistry | 1984 |
| 15N-NMR Spectra of Azoles with Two Heteroatoms | Helvetica Chimica Acta | 1983 |
This compound is available in the following databases:
Wiley Registry of Tandem Mass Spectral Data: MS for ID
Author: Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
The Wiley Registry® of Tandem Mass Spectral Data: MS for ID contains 10,000 positive and negative mode spectra of over 1200 compounds of interest for forensics, toxicology, and pathology. 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.