5,8-Dideazaisofolic Acid
[CAS# 56239-21-5]

Identification

• Name: 5,8-Dideazaisofolic Acid
• Synonyms: 2-[[[4-[[(2-Amino-4-Oxo-1H-Quinazolin-6-Yl)Amino]Methyl]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; 2-[[4-[[(2-Amino-4-Keto-1H-Quinazolin-6-Yl)Amino]Methyl]Benzoyl]Amino]Glutaric Acid; 2-[[4-[[(2-Amino-4-Oxo-1H-Quinazolin-6-Yl)Amino]Methyl]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₁H₂₁N₅O₆
• Molecular Weight: 439.43
• CAS Registry Number: 56239-21-5
• SMILES: C3=C(CNC2=CC1=C(NC(=NC1=O)N)C=C2)C=CC(=C3)C(=O)NC(CCC(O)=O)C(O)=O
• InChI: 1S/C21H21N5O6/c22-21-25-15-6-5-13(9-14(15)19(30)26-21)23-10-11-1-3-12(4-2-11)18(29)24-16(20(31)32)7-8-17(27)28/h1-6,9,16,23H,7-8,10H2,(H,24,29)(H,27,28)(H,31,32)(H3,22,25,26,30)
• InChIKey: MXBUWHDMZGKTHK-UHFFFAOYSA-N

Properties

• Density: 1.547g/cm³ (Cal.)