Tadalafil
Compound with spectra: 4 NMR, 2 FTIR, 1 Raman, and 4 MS (GC)
| SpectraBase Compound ID | L23F2ipq7Zk |
|---|---|
| InChI | InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 |
| InChIKey | WOXKDUGGOYFFRN-IIBYNOLFSA-N |
| Mol Weight | 389.41 g/mol |
| Molecular Formula | C22H19N3O4 |
| Exact Mass | 389.137556 g/mol |
| Enantiomer InChIKey | WOXKDUGGOYFFRN-KKSFZXQISA-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 © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | CAY-2023-384-0 |
| Catalog Number | 14024 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SWG-33-1658-0 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Cayman Chemical Company |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 14024 |
| Technique | KBr0 |
| Copyright | Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Cayman Chemical Company |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 14024 |
| Copyright | Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Cayman Chemical Company |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 14024 |
| 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 | DMSO-D6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
- Cialis
- Tildenafil
- (6R,12aR)-6-(1,3-Benzodioxol-5-yl)-2,3,6,7,12,12α-hexahydro-2-methylpyrazino[1,2:1,6]pyrido[3,4-b]indole-1,4-dione
- TADALAFIL;(6R,12AR)-6-(1,3-BENZODIOXOL-5-YL)-2,3,6,7,12,12A-HEXAHYDRO-2-METHYL-PYRAZINO-[1',2':1,6]-PYRIDO-[3,4-B]-INDOLE-1,4-DIONE
| Title | Journal or Book | Year |
|---|---|---|
| Isolation and structural characterization of two tadalafil analogs found in dietary supplements | Journal of Pharmaceutical and Biomedical Analysis | 2012 |
| The identification of (−)-trans-tadalafil, tadalafil, and sildenafil in counterfeit Cialis® and the optical purity of tadalafil stereoisomers | Journal of Pharmaceutical and Biomedical Analysis | 2010 |
| Isolation and Structural Elucidation of Cyclopentynafil and N-Octylnortadalafil Found in a Dietary Supplement | Chemical and Pharmaceutical Bulletin | 2009 |
| Structural elucidation of a tadalafil analogue found as an adulterant of a herbal product | Food Additives and Contaminants | 2006 |
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 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.
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.
| Vendor/Supplier | Catalog Number |
|---|---|
| Cayman Chemical Company |