5-Deazafolic Acid
[CAS# 85597-17-7]

Identification

• Name: 5-Deazafolic Acid
• Synonyms: 2-[[[4-[(2-Amino-4-Oxo-1H-Pyrido[5,6-E]Pyrimidin-6-Yl)Methylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; 2-[[4-[(2-Amino-4-Keto-1H-Pyrido[5,6-E]Pyrimidin-6-Yl)Methylamino]Benzoyl]Amino]Glutaric Acid; 2-[[4-[(2-Amino-4-Oxo-1H-Pyrido[5,6-E]Pyrimidin-6-Yl)Methylamino]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₀H₂₀N₆O₆
• Molecular Weight: 440.41
• CAS Registry Number: 85597-17-7
• SMILES: C1=C3C(=NC=C1CNC2=CC=C(C(=O)NC(CCC(O)=O)C(O)=O)C=C2)NC(=NC3=O)N
• InChI: 1S/C20H20N6O6/c21-20-25-16-13(18(30)26-20)7-10(9-23-16)8-22-12-3-1-11(2-4-12)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,7,9,14,22H,5-6,8H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,23,25,26,30)
• InChIKey: NFARHPAOOHOWAL-UHFFFAOYSA-N

Properties

• Density: 1.615g/cm³ (Cal.)