1,5-Dihydro-N(3)-Carboxymethyllumiflavin
[CAS# 50635-52-4]

Identification

• Name: 1,5-Dihydro-N(3)-Carboxymethyllumiflavin
• Synonyms: 2-(2,4-Diketo-7,8,10-Trimethyl-1,5-Dihydrobenzo[G]Pteridin-3-Yl)Acetic Acid; 2-(7,8,10-Trimethyl-2,4-Dioxo-1,5-Dihydrobenzo[G]Pteridin-3-Yl)Ethanoic Acid; 1,5-Dihydro-N(3)-Carboxymethyllumiflavin
• Molecular Formula: C₁₅H₁₆N₄O₄
• Molecular Weight: 316.32
• CAS Registry Number: 50635-52-4
• SMILES: C3=C2N(C1=C(C(N(C(N1)=O)CC(=O)O)=O)NC2=CC(=C3C)C)C
• InChI: 1S/C15H16N4O4/c1-7-4-9-10(5-8(7)2)18(3)13-12(16-9)14(22)19(6-11(20)21)15(23)17-13/h4-5,16H,6H2,1-3H3,(H,17,23)(H,20,21)
• InChIKey: IYYJWWWBXPZJDL-UHFFFAOYSA-N

Properties

• Density: 1.517g/cm³ (Cal.)