5-Deazariboflavin
[CAS# 19342-73-5]

Identification

• Name: 5-Deazariboflavin
• Synonyms: 7,8-Dimethyl-10-[(2S,3S,4R)-2,3,4,5-Tetrahydroxypentyl]Pyrimido[6,5-B]Quinoline-2,4-Quinone; 5-Deazariboflavin; D-Ribitol, 1-Deoxy-1-(3,4-Dihydro-7,8-Dimethyl-2,4-Dioxopyrimido(4,5-B)Quinolin-10(2H)-Yl)-
• Molecular Formula: C₁₈H₂₁N₃O₆
• Molecular Weight: 375.38
• CAS Registry Number: 19342-73-5
• SMILES: [C@H](O)(CN2C1=NC(=O)NC(=O)C1=CC3=C2C=C(C(=C3)C)C)[C@H](O)[C@H](O)CO
• InChI: 1S/C18H21N3O6/c1-8-3-10-5-11-16(19-18(27)20-17(11)26)21(12(10)4-9(8)2)6-13(23)15(25)14(24)7-22/h3-5,13-15,22-25H,6-7H2,1-2H3,(H,20,26,27)/t13-,14+,15-/m0/s1
• InChIKey: XHELUUHUHSGXOC-ZNMIVQPWSA-N

Properties

• Density: 1.571g/cm³ (Cal.)