Thiopurinol Ribonucleoside Monophosphate
[CAS# 81944-82-3]

Identification

• Name: Thiopurinol Ribonucleoside Monophosphate
• Synonyms: [(2R,3S,4R,5S)-3,4-Dihydroxy-5-(6-Thioxo-7H-Purin-3-Yl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5S)-3,4-Dihydroxy-5-(6-Thioxo-7H-Purin-3-Yl)-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; 1,5-Dihydro-1-(5-O-Phosphono-Beta-D-Ribofuranosyl)-4H-Pyrazolo(3,2-D)Pyrimidine-4-Thione
• Molecular Formula: C₁₀H₁₃N₄O₇PS
• Molecular Weight: 364.27
• CAS Registry Number: 81944-82-3
• SMILES: [C@@H]3(N1C=NC(C2=C1N=C[NH]2)=S)[C@H](O)[C@H](O)[C@H](O3)CO[P](=O)(O)O
• InChI: 1S/C10H13N4O7PS/c15-6-4(1-20-22(17,18)19)21-10(7(6)16)14-3-13-9(23)5-8(14)12-2-11-5/h2-4,6-7,10,15-16H,1H2,(H,11,12)(H2,17,18,19)/t4-,6-,7-,10+/m1/s1
• InChIKey: SNTOQDWYLLHKHP-CRKDRTNXSA-N

Properties

• Density: 2.255g/cm³ (Cal.)
• Boiling point: 840.908°C at 760 mmHg (Cal.)
• Flash point: 462.365°C (Cal.)