N-[4-[[(2-Amino-5-Formyl-1,4,5,6,7,8-Hexahydro-4-Oxo-6-Pteridinyl)Methyl]Amino]Benzoyl]-L-Glutamic Acid Calcium Salt (1:1)
[CAS# 6209-45-6]

Identification

• Name: N-[4-[[(2-Amino-5-Formyl-1,4,5,6,7,8-Hexahydro-4-Oxo-6-Pteridinyl)Methyl]Amino]Benzoyl]-L-Glutamic Acid Calcium Salt (1:1)
• Synonyms: Calcium (2S)-2-[[[4-[(2-Amino-5-Formyl-4-Oxo-1,6,7,8-Tetrahydropteridin-6-Yl)Methylamino]Phenyl]-Oxomethyl]Amino]Pentanedioate; Calcium (2S)-2-[[4-[(2-Amino-5-Formyl-4-Keto-1,6,7,8-Tetrahydropteridin-6-Yl)Methylamino]Benzoyl]Amino]Glutarate; Calcium (2S)-2-[[4-[(2-Amino-5-Methanoyl-4-Oxo-1,6,7,8-Tetrahydropteridin-6-Yl)Methylamino]Phenyl]Carbonylamino]Pentanedioate
• Molecular Formula: C₂₀H₂₁CaN₇O₇
• Molecular Weight: 511.51
• CAS Registry Number: 6209-45-6
• SMILES: [C@H](NC(C3=CC=C(NCC1N(C2=C(NC1)NC(=NC2=O)N)C=O)C=C3)=O)(CCC(=O)[O-])C(=O)[O-].[Ca++]
• InChI: 1S/C20H23N7O7.Ca/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);/q;+2/p-2/t12?,13-;/m0./s1
• InChIKey: KVUAALJSMIVURS-ZEDZUCNESA-L