| SpectraBase Compound ID | KMvIfGaarEM |
|---|---|
| InChI | InChI=1S/C20H22N8O5.H2O/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);1H2/t13-;/m0./s1 |
| InChIKey | FPJYMUQSRFJSEW-ZOWNYOTGSA-N |
| Mol Weight | 472.46 g/mol |
| Molecular Formula | C20H24N8O6 |
| Exact Mass | 472.181881 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | FZLKRUgj5PM |
|---|---|
| Name | L-Amethopterin hydrate |
| Source of Sample | Aldrich |
| Catalog Number | 223948 |
| CAS Registry Number | 133073-73-1 |
| Comments | MW calculated on anhydrous base |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H22N8O5*xH2O |
| InChI | InChI=1S/C20H22N8O5.H2O/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);1H2/t13-;/m0./s1 |
| InChIKey | FPJYMUQSRFJSEW-ZOWNYOTGSA-N |
| Purity | 98% |
| Synonyms | Methotrexate hydrate 4-Amino-10-methylfolic acid hydrate L-4-Amino-N10-methylpteroylglutamic acid hydrate L-Amethopterin hydrate Antifolan hydrate MTX hydrate Methylaminopterin hydrate |
| Wiley ID | SIAL_ATR-IR_011301 |