Timolol
Compound with spectra: 1 NMR, and 4 MS (GC)
| SpectraBase Compound ID | IjwR1hWknhA |
|---|---|
| InChI | InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1 |
| InChIKey | BLJRIMJGRPQVNF-JTQLQIEISA-N |
| Mol Weight | 316.42 g/mol |
| Molecular Formula | C13H24N4O3S |
| Exact Mass | 316.156912 g/mol |
| Enantiomer InChIKey | BLJRIMJGRPQVNF-SNVBAGLBSA-N |
| Racemate InChIKey | BLJRIMJGRPQVNF-UHFFFAOYSA-N |
| 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 © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
- Istalol
- Blocadren
- (2S)-1-(tert-Butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
Ethyl ([4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy)acetate
URWUEKAUCPRFND-UHFFFAOYSA-N
BIS-[(S)-(-)-1-(TERT.-BUTYLAMMONIUM)-3-(ORTHO-CYCLOPENTYLPHENOXY)-2-PROPANOL]-SULFATE;PENBUTULOLSULFATE
Penbutolol
(2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)-2-propanol
Sulfametrol
4-(2-Chloro-4-nitro-3-thienyl)morpholine
ethanol, 2-[[4-[(4-ethoxyphenyl)amino]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-
5-(4-(4-CHLOROBENZYL)-OXY-[1,2,5]-THIADIAZOL-3-YL)-PYRIMIDINE
| Title | Journal or Book | Year |
|---|---|---|
| NMR analysis of ion pair formation between timolol and sorbic acid in ophthalmic preparations | Journal of Pharmaceutical and Biomedical Analysis | 2007 |
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.
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 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.
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.