Teopranitol
[CAS# 81792-35-0]

Identification

• Name: Teopranitol
• Synonyms: [(3S,3Ar,6S,6As)-3-[3-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Propylamino]-2,3,3A,5,6,6A-Hexahydrofuro[4,5-B]Furan-6-Yl] Nitrate; Nitric Acid [(3S,3Ar,6S,6As)-3-[3-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Propylamino]-2,3,3A,5,6,6A-Hexahydrofuro[4,5-B]Furan-6-Yl] Ester; Nitric Acid [(3S,3Ar,6S,6As)-3-[3-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Propylamino]-2,3,3A,5,6,6A-Hexahydrofuro[4,5-B]Furan-6-Yl] Ester
• Molecular Formula: C₁₆H₂₂N₆O₇
• Molecular Weight: 410.39
• CAS Registry Number: 81792-35-0
• SMILES: [C@@H]4(NCCC[N]1C2=C(N=C1)N(C(=O)N(C2=O)C)C)[C@@H]3[C@@H]([C@@H](O[N+](=O)[O-])CO3)OC4
• InChI: 1S/C16H22N6O7/c1-19-14-11(15(23)20(2)16(19)24)21(8-18-14)5-3-4-17-9-6-27-13-10(29-22(25)26)7-28-12(9)13/h8-10,12-13,17H,3-7H2,1-2H3/t9-,10-,12+,13+/m0/s1
• InChIKey: XTEGRRHNMFDROI-YRRQLQLVSA-N

Properties

• Density: 1.743g/cm³ (Cal.)
• Boiling point: 663.658°C at 760 mmHg (Cal.)
• Flash point: 355.168°C (Cal.)