1-Deoxy-1-(8,9-dimethyl-2,4-dioxo-3,4-dihydro-2H-oxireno[c]pyrimido[4,5-b]quinolin-6(10bH)-yl)pentitol
[CAS# 86889-50-1]

Identification

• Name: 1-Deoxy-1-(8,9-dimethyl-2,4-dioxo-3,4-dihydro-2H-oxireno[c]pyrimido[4,5-b]quinolin-6(10bH)-yl)pentitol
• Synonyms: 5-Dazfep; 5-Deazaflavin 4,5-epoxide; 5-Deazaflavin 4a,5-epoxide
• Molecular Formula: C₁₈H₂₁N₃O₇
• Molecular Weight: 391.38
• CAS Registry Number: 86889-50-1
• SMILES: O=C3/N=C2/N(c1cc(c(cc1C4OC24C(=O)N3)C)C)CC(O)C(O)C(O)CO
• InChI: 1S/C18H21N3O7/c1-7-3-9-10(4-8(7)2)21(5-11(23)13(25)12(24)6-22)15-18(14(9)28-18)16(26)20-17(27)19-15/h3-4,11-14,22-25H,5-6H2,1-2H3,(H,20,26,27)
• InChIKey: SNPOHMZHOHFVKK-UHFFFAOYSA-N

Properties

• Density: 1.761g/cm³ (Cal.)