1401028-24-7
| Name | TRV 130 |
| CAS | 1401028-24-7 |
| Molecular Formula | C22H30N2O2S |
| MDL Number | MFCD28385855 |
| Molecular Weight | 386.55 |
| MOL File | 1401028-24-7.mol |
Chemical Properties
| Boiling point | 526.5±45.0 °C(Predicted) |
| density | 1.17±0.1 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| solubility | DMSO : ≥ 38 mg/mL (89.83 mM) |
| pka | 8.38±0.19(Predicted) |
| InChI | InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1 |
| InChIKey | DMNOVGJWPASQDL-OAQYLSRUSA-N |
| SMILES | C1C2(C[C@@](C3=NC=CC=C3)(CCNCC3SC=CC=3OC)CCO2)CCC1 |