| 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 |
Raman Spectrum
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| SpectraBase Spectrum ID | 24fjONA29GN |
|---|---|
| Name | Methotrexate |
| Source of Sample | Spectrum Chemical Manufacturing Corp. |
| Catalog Number | M1435 |
| Lot Number | XF0174 |
| CAS Registry Number | 59-05-2 |
| Classification | Antineoplastic agent |
| Compound Type | Pure |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H22N8O5 |
| 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 |
| Raman Corrections | Referenced to internal white light source; 180 Degree backscatter |
| Raman Laser Source | Nd: YAG |
| Raman Laser Wavelength | 1064 |
| Sadtler IR Number | DW0402 |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-glutamic acid |
| Technique | FT-Raman |