Methotrexate
Compound with spectra: 1 FTIR, and 1 Raman
| SpectraBase Compound ID | HIDXkbXh1tD |
|---|---|
| InChI | InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m1/s1 |
| InChIKey | FBOZXECLQNJBKD-CYBMUJFWSA-N |
| Mol Weight | 454.45 g/mol |
| Molecular Formula | C20H22N8O5 |
| Exact Mass | 454.171316 g/mol |
| Enantiomer InChIKey | FBOZXECLQNJBKD-ZDUSSCGKSA-N |
| Racemate InChIKey | FBOZXECLQNJBKD-UHFFFAOYSA-N |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Spectrum Chemical Manufacturing Corp. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | M1435 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Spectrum Chemical Manufacturing Corp. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | M1435 |
- N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-glutamic acid
- L-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-
D-Amethopterin hydrate
L-Amethopterin hydrate
Dimethyl N-{4-[2-(2,4-diamino-7H-pyrazolo[3,4-d]pyrimidin5-yl)ethynyl]benzoyl}-L-glutamate
Triamterene ME
Dimethyl N-{4-[2-(2,4-Diaminothieno[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamate
Dimethyl N-{4-[2-(2,4-Diaminopyrazolo[3,4-d]pyrimidin5-yl)ethynyl]benzoyl}-L-glutamate
N-[4-[[2-(AMINO-4,7-DIHYDRO-4-OXO-3H-PYRROLO-[2,3-D]-PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]-L-GLUTAMIC-ACID;LY231514
(2S)-2-[[4-[2-(2-amino-4-keto-1H-pyrrolo[3,2-d]pyrimidin-5-yl)ethyl]benzoyl]amino]glutaric acid
2-AMINO-9-BETA-CYANOETHYL-6-(PARA-TOLYLAMINO)-PURINE
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 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, 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.