Sodium 4-{[(2,4-Diamino-6-Pteridinyl)Methyl]Amino}Benzoate
[CAS# 100929-45-1]

Identification

• Name: Sodium 4-{[(2,4-Diamino-6-Pteridinyl)Methyl]Amino}Benzoate
• Synonyms: 4-(N-[2,4-Diamino-6-pteridinylmethyl]amino)benzoic acid sodium salt; 4-(N-[2,4-DIAMINO-6-PTERIDINYLMETHYL]-AMINO)BENZOIC ACID SODIUM SALT
• Molecular Formula: C₁₄H₁₂N₇NaO₂
• Molecular Weight: 333.28
• CAS Registry Number: 100929-45-1
• SMILES: [Na+].[O-]C(=O)c1ccc(cc1)NCc2nc3c(nc2)nc(nc3N)N
• InChI: 1S/C14H13N7O2.Na/c15-11-10-12(21-14(16)20-11)18-6-9(19-10)5-17-8-3-1-7(2-4-8)13(22)23;/h1-4,6,17H,5H2,(H,22,23)(H4,15,16,18,20,21);/q;+1/p-1
• InChIKey: NDXULQWYAMJQGC-UHFFFAOYSA-M

Properties

• Boiling point: 681.8°C at 760 mmHg (Cal.)
• Flash point: 366.1°C (Cal.)
• Refractive index: (Cal.)