| CAS NO: | 402957-28-2 |
| 中文别名 | Telaprevir(MSDS,402957-28-2) |
| 英文别名 | Telaprevir;Telaprevir: |
| CAS号 | 402957-28-2 |
| SMILES | CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)c5cnccn5 |
| Inchi | InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1 |
| InchiKey | BBAWEDCPNXPBQM-GDEBMMAJSA-N |
| 分子式 Formula | C36H53N7O6 |
| 分子量 Molecular Weight | 679.85 |
| 熔点 Melting point | 221-224 ℃ |
| Polarizability极化度 | 71.9±0.5 10-24cm3 |
| 密度 Density | 1.3±0.1 g/cm3 |
| 溶解度Solubility | ≥136 mg/mL in DMSO<1 mg/mL in Water<1 mg/mL in Ethanol |
| 储藏条件 Storage conditions | 储存温度-20℃ |
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