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| IUPAC Name: | 4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid |
| Description: | N10-(Trifluoroacetyl)pteroic acid (CAS# 37793-53-6) is a derivative of Pteroic acid (P840110), both of which are used as reagents to synthesize target ligands, like Folic acid (F680300), that have the ability to deliver chemotherapeutic agents specifically to cancer cells. |
| Molecular Weight: | 408.29 |
| Molecular Formula: | C16H11F3N6O4 |
| Canonical SMILES: | C1=CC(=CC=C1C(=O)O)N(CC2=CN=C3C(=N2)C(=O)NC(=N3)N)C(=O)C(F)(F)F |
| InChI: | InChI=1S/C16H11F3N6O4/c17-16(18,19)14(29)25(9-3-1-7(2-4-9)13(27)28)6-8-5-21-11-10(22-8)12(26)24-15(20)23-11/h1-5H,6H2,(H,27,28)(H3,20,21,23,24,26) |
| InChI Key: | IJGIHDXKYQLIMA-UHFFFAOYSA-N |
| Boiling Point: | 650.2 °C at 760 mmHg |
| Melting Point: | 270 °C (dec.)(lit.) |
| Purity: | 95 % |
| Density: | 1.74 g/cm3 |
| MDL: | MFCD22422766 |
| LogP: | 2.08250 |
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