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| IUPAC Name: | 2-amino-6-(bromomethyl)-3H-pteridin-4-onehydrobromide |
| Description: | 2-Amino-6-bromomethyl-4(1H)-pteridinone Hydrobromide is a useful intermediate for the synthesis of methotrexate used in the treatment of cancers and other related diseases. |
| Molecular Weight: | 256.06 + (80.91) |
| Molecular Formula: | C7H6BrN5O(HBr) |
| Canonical SMILES: | C1=C(N=C2C(=O)NC(=NC2=N1)N)CBr.Br |
| InChI: | InChI=1S/C7H6BrN5O.BrH/c8-1-3-2-10-5-4(11-3)6(14)13-7(9)12-5/h2H,1H2,(H3,9,10,12,13,14)1H |
| InChI Key: | BGELRNOEUFVLPF-UHFFFAOYSA-N |
| Solubility: | Aqueous Acid (Slightly), Aqueous Base (Slightly, Heated), DMSO (Slightly) |
| Appearance: | Dark Green to Very Dark Grey Solid |
| Storage: | -20°C, Inert atmosphere, Light sensitive |
| References: | Montgomery, J. A., et al. Chem. Biol. Pteridines, Proc. Int. Symp., 5th, 485 (1975). |
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