8-Mercaptoriboflavin
[CAS# 71800-64-1]

Identification

• Name: 8-Mercaptoriboflavin
• Synonyms: 7-Methyl-10-[(2R,3R,4S)-2,3,4,5-Tetrahydroxypentyl]-8-Thioxo-1H-Benzo[G]Pteridine-2,4-Dione; 7-Methyl-10-[(2R,3R,4S)-2,3,4,5-Tetrahydroxypentyl]-8-Thioxo-1H-Benzo[G]Pteridine-2,4-Quinone; 8-Mercaptoriboflavin
• Molecular Formula: C₁₆H₁₈N₄O₆S
• Molecular Weight: 394.40
• CAS Registry Number: 71800-64-1
• SMILES: [C@@H](O)(CN2C1=CC(=S)C(=CC1=NC3=C2NC(=O)NC3=O)C)[C@@H](O)[C@@H](O)CO
• InChI: 1S/C16H18N4O6S/c1-6-2-7-8(3-11(6)27)20(4-9(22)13(24)10(23)5-21)14-12(17-7)15(25)19-16(26)18-14/h2-3,9-10,13,21-24H,4-5H2,1H3,(H2,18,19,25,26)/t9-,10+,13-/m1/s1
• InChIKey: QCVUIQMJFKORPS-GBIKHYSHSA-N

Properties

• Density: 1.785g/cm³ (Cal.)