Grazoprevir
CAS Number: 1350514-68-9
Molecular Mass: 766.91 g/mol
Formula: C38H50N6O9S
Smiles: O=C1OC2CC2CCCCCC=3N=C4C=CC(OC)=CC4=NC3OC5CN(C(=O)C(N1)C(C)(C)C)C(C(=O)NC6(C(=O)NS(=O)(=O)C7CC7)CC6C=C)C5
Synonymes: Grazoprevir, MK 5172, Cyclopropanecarboxamide, N-[[[(1R,2R)-2-[5-(3-hydroxy-6-methoxy-2-quinoxalinyl)pentyl]cyclopropyl]oxy]carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2-ethenyl-, cyclic (1→2)-ether, (1R,2S)-
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Cyclohexane | 298.0 | Monohydrate | 0.0019? | None |
| Acetonitrile | 298.0 | Monohydrate | 88.1 | None |
Thermodynamic parameters of solution
| Solvent | Temperature [K] | Crystal form | ΔHsol [kJ/mol] | ΔSsol [J/mol/K] | ΔGsol [kJ/mol] | Reference |
|---|---|---|---|---|---|---|
| Cyclohexane | 298.0 | Monohydrate | - | - | 31.9 | - |
| Acetonitrile | 298.0 | Monohydrate | - | - | 5.36 | - |