80428-29-1
| Name | Mafoprazine |
| CAS | 80428-29-1 |
| Molecular Formula | C22H28FN3O3 |
| MDL Number | MFCD00868005 |
| Molecular Weight | 401.47 |
| MOL File | 80428-29-1.mol |
Chemical Properties
| Melting point | approximate 123℃ (dec.) |
| Boiling point | 590.5±50.0 °C(Predicted) |
| density | 1.192±0.06 g/cm3(Predicted) |
| pka | 14.09±0.70(Predicted) |
| InChI | InChI=1S/C22H28FN3O3/c1-17(27)24-18-8-9-21(22(16-18)28-2)29-15-5-10-25-11-13-26(14-12-25)20-7-4-3-6-19(20)23/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,24,27) |
| InChIKey | PHOCQBYGUQPMIB-UHFFFAOYSA-N |
| SMILES | C(NC1=CC=C(OCCCN2CCN(C3=CC=CC=C3F)CC2)C(OC)=C1)(=O)C |