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| IUPAC Name: | 4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoic acid |
| Description: | Pteroic Acid is one of methotrexate impurities. Methotrexate is a folic acid antagonist, used as an antineoplastic and antirheumatic. |
| Molecular Weight: | 312.28 |
| Molecular Formula: | C14H12N6O3 |
| Canonical SMILES: | C1=CC(=CC=C1C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N |
| InChI: | InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21) |
| InChI Key: | JOAQINSXLLMRCV-UHFFFAOYSA-N |
| Boiling Point: | 610.0±65.0 °C at 760 mmHg |
| Melting Point: | > 300 °C (dec.) |
| Purity: | > 85 % |
| Density: | 1.690 g/cm3 (Predicted) |
| Solubility: | Soluble in Aqueous Base (Slightly), DMSO (Slightly) |
| Appearance: | Light yellow to brown solid |
| Storage: | Store at -20°C |
| MDL: | MFCD00075823 |
| LogP: | 1.67210 |
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