5-Methyltetrahydrofolic Acid Barium
[CAS# 68703-91-3]

Identification

• Name: 5-Methyltetrahydrofolic Acid Barium
• Synonyms: 2-[[[4-[(2-Amino-5-Methyl-4-Oxo-1,6,7,8-Tetrahydropteridin-6-Yl)Methylamino]Phenyl]-Oxomethyl]Amino]Pentanedioate; Barium(+2) Cation; 2-[[4-[(2-Amino-4-Keto-5-Methyl-1,6,7,8-Tetrahydropteridin-6-Yl)Methylamino]Benzoyl]Amino]Glutarate; Barium(+2) Cation; 2-[[4-[(2-Amino-5-Methyl-4-Oxo-1,6,7,8-Tetrahydropteridin-6-Yl)Methylamino]Phenyl]Carbonylamino]Pentanedioate; Barium(+2) Cation
• Molecular Formula: C₂₀H₂₃BaN₇O₆
• Molecular Weight: 594.79
• CAS Registry Number: 68703-91-3
• SMILES: C3=C(NCC2N(C1=C(NC(=NC1=O)N)NC2)C)C=CC(=C3)C(=O)NC(C([O-])=O)CCC([O-])=O.[Ba++]
• InChI: 1S/C20H25N7O6.Ba/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29;/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31);/q;+2/p-2
• InChIKey: CJDBLCUPSKRHFJ-UHFFFAOYSA-L