118288-08-7
| Name | Lafutidine |
| CAS | 118288-08-7 |
| EINECS(EC#) | 601-513-8 |
| Molecular Formula | C22H29N3O4S |
| MDL Number | MFCD00867520 |
| Molecular Weight | 431.55 |
| MOL File | 118288-08-7.mol |
Chemical Properties
| Melting point | 92.7-94.9° |
| Boiling point | 704.2±60.0 °C(Predicted) |
| density | 1.252±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Store in freezer, under -20°C |
| solubility | DMF:5.0(Max Conc. mg/mL);11.59(Max Conc. mM) DMSO:48.67(Max Conc. mg/mL);112.77(Max Conc. mM) DMSO:PBS (pH 7.2) (1:10):0.09(Max Conc. mg/mL);0.21(Max Conc. mM) Ethanol:9.0(Max Conc. mg/mL);20.86(Max Conc. mM) |
| Water Solubility | Insoluble in water |
| form | powder to crystal |
| pka | 13.13±0.46(Predicted) |
| color | White to Orange to Green |
| Usage | Second generation histamine H2-receptor antagonist. Antiulcerative |
| InChI | 1S/C22H29N3O4S/c26-21(18-30(27)17-20-7-6-14-28-20)23-9-2-5-13-29-22-15-19(8-10-24-22)16-25-11-3-1-4-12-25/h2,5-8,10,14-15H,1,3-4,9,11-13,16-18H2,(H,23,26)/b5-2- |
| InChIKey | KMZQAVXSMUKBPD-DJWKRKHSSA-N |
| SMILES | C(NC/C=C\COC1=NC=CC(CN2CCCCC2)=C1)(=O)CS(CC1=CC=CO1)=O |
| CAS DataBase Reference | 118288-08-7(CAS DataBase Reference) |