(5)N,(8)N-Deaza-(10)-N-Methylfolate
[CAS# 5854-12-6]

Identification

• Name: (5)N,(8)N-Deaza-(10)-N-Methylfolate
• Synonyms: 2-[[4-[(2-Amino-4-Oxo-1H-Quinazolin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Pentanedioic Acid; 2-[[[4-[(2-Amino-4-Oxo-1H-Quinazolin-6-Yl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; 2-[[4-[(2-Amino-4-Keto-1H-Quinazolin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₂H₂₃N₅O₆
• Molecular Weight: 453.45
• CAS Registry Number: 5854-12-6
• SMILES: C1=CC(=CC2=C1NC(=NC2=O)N)CN(C)C3=CC=C(C=C3)C(NC(C(O)=O)CCC(O)=O)=O
• InChI: 1S/C22H23N5O6/c1-27(11-12-2-7-16-15(10-12)20(31)26-22(23)25-16)14-5-3-13(4-6-14)19(30)24-17(21(32)33)8-9-18(28)29/h2-7,10,17H,8-9,11H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H3,23,25,26,31)
• InChIKey: ZRFBRXIIMGWDFH-UHFFFAOYSA-N

Properties

• Density: 1.485g/cm³ (Cal.)