10-(2,3,4,5-Tetrahydroxypentyl)-1H-Pyrimido[6,5-b]Quinoline-2,4,8-Trione
[CAS# 37333-48-5]

Identification

• Name: 10-(2,3,4,5-Tetrahydroxypentyl)-1H-Pyrimido[6,5-b]Quinoline-2,4,8-Trione
• Synonyms: 7,8-Didemethyl-8-Hydroxy-5-Deazariboflavin; 8-Hydroxy-5-Deazaflavin; D-Ribitol, 1-Deoxy-1-(3,4-Dihydro-8-Hydroxy-2,4-Dioxopyrimido(4,5-B)Quinolin-10(2H)-Yl)-
• Molecular Formula: C₁₆H₁₇N₃O₇
• Molecular Weight: 363.33
• CAS Registry Number: 37333-48-5
• SMILES: C(N1C3=C(C=C2C1=CC(=O)C=C2)C(=O)NC(=O)N3)C(O)C(O)C(O)CO
• InChI: 1S/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20,22-24H,5-6H2,(H2,17,18,25,26)
• InChIKey: HJMIIBXYFPJZBP-UHFFFAOYSA-N

Properties

• Density: 1.709g/cm³ (Cal.)