N-(4-{[1-(2-Amino-4-Oxo-1,4-Dihydro-6-Pteridinyl)Ethyl](Methyl)Amino}Benzoyl)Glutamic Acid
[CAS# 22006-84-4]

Identification

• Name: N-(4-{[1-(2-Amino-4-Oxo-1,4-Dihydro-6-Pteridinyl)Ethyl](Methyl)Amino}Benzoyl)Glutamic Acid
• Molecular Formula: C₂₁H₂₃N₇O₆
• Molecular Weight: 469.45
• CAS Registry Number: 22006-84-4
• SMILES: O=C(O)C(NC(=O)c1ccc(cc1)N(C)C(c2nc3c(nc2)N/C(=N\C3=O)N)C)CCC(=O)O
• InChI: 1S/C21H23N7O6/c1-10(14-9-23-17-16(24-14)19(32)27-21(22)26-17)28(2)12-5-3-11(4-6-12)18(31)25-13(20(33)34)7-8-15(29)30/h3-6,9-10,13H,7-8H2,1-2H3,(H,25,31)(H,29,30)(H,33,34)(H3,22,23,26,27,32)
• InChIKey: FLWWDYNPWOSLEO-UHFFFAOYSA-N

Properties

• Density: 1.576g/cm³ (Cal.)
• Refractive index: 1.719 (Cal.)