N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic acid
[CAS# 85803-34-5]

Identification

• Name: N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic acid
• Synonyms: 3'-Fluoroaminopterin; L-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)amino)-3-fluorobenzoyl)-
• Molecular Formula: C₁₉H₁₉FN₈O₅
• Molecular Weight: 458.40
• CAS Registry Number: 85803-34-5
• SMILES: O=C(O)[C@@H](NC(=O)c1ccc(c(F)c1)NCc2nc3c(nc2)nc(nc3N)N)CCC(=O)O
• InChI: 1S/C19H19FN8O5/c20-10-5-8(17(31)26-12(18(32)33)3-4-13(29)30)1-2-11(10)23-6-9-7-24-16-14(25-9)15(21)27-19(22)28-16/h1-2,5,7,12,23H,3-4,6H2,(H,26,31)(H,29,30)(H,32,33)(H4,21,22,24,27,28)/t12-/m0/s1
• InChIKey: SGJMILOGOMOIPG-LBPRGKRZSA-N

Properties

• Density: 1.629g/cm³ (Cal.)