10-Formyl-5,8-Dideazafolate
[CAS# 61038-31-1]

Identification

• Name: 10-Formyl-5,8-Dideazafolate
• Synonyms: 2-[[4-[(2-Amino-4-Oxo-1H-Quinazolin-6-Yl)Methyl-Formyl-Amino]Benzoyl]Amino]Pentanedioic Acid; 2-[[[4-[(2-Amino-4-Oxo-1H-Quinazolin-6-Yl)Methyl-Formylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; 2-[[4-[(2-Amino-4-Keto-1H-Quinazolin-6-Yl)Methyl-Formyl-Amino]Benzoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₂H₂₁N₅O₇
• Molecular Weight: 467.44
• CAS Registry Number: 61038-31-1
• SMILES: C2=C(CN(C1=CC=C(C(=O)NC(CCC(O)=O)C(O)=O)C=C1)C=O)C=CC3=C2C(=O)N=C(N3)N
• InChI: 1S/C22H21N5O7/c23-22-25-16-6-1-12(9-15(16)20(32)26-22)10-27(11-28)14-4-2-13(3-5-14)19(31)24-17(21(33)34)7-8-18(29)30/h1-6,9,11,17H,7-8,10H2,(H,24,31)(H,29,30)(H,33,34)(H3,23,25,26,32)
• InChIKey: QHUBQNFYSLRYQG-UHFFFAOYSA-N

Properties

• Density: 1.54g/cm³ (Cal.)