N-(4-{[(2-Amino-4-Oxo-1,4,7,8-Tetrahydro-6-Pteridinyl)Methyl]Amino}Benzoyl)Glutamic Acid Dihydrate
[CAS# 207226-40-2]

Identification

• Name: N-(4-{[(2-Amino-4-Oxo-1,4,7,8-Tetrahydro-6-Pteridinyl)Methyl]Amino}Benzoyl)Glutamic Acid Dihydrate
• Synonyms: 271462_ALDRICH
• Molecular Formula: C₁₉H₂₅N₇O₈
• Molecular Weight: 479.44
• CAS Registry Number: 207226-40-2
• SMILES: O=C(O)C(NC(=O)c1ccc(cc1)NCC/2=N/C=3C(=O)\N=C(/NC=3NC\2)N)CCC(=O)O.O.O
• InChI: 1S/C19H21N7O6.2H2O/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28;;/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30);2*1H2
• InChIKey: UOHHAQNWTOGSOL-UHFFFAOYSA-N

Properties

• Boiling point: 909.6°C at 760 mmHg (Cal.)
• Flash point: 503.9°C (Cal.)
• Refractive index: (Cal.)