Raltitrexed
Catalog No: FT-0631066
CAS No: 112887-68-0
- Molecular Formula: 458.5
- Formula Weight: C21H22N4O6S
- Inchl Key: IVTVGDXNLFLDRM-HNNXBMFYSA-N
- Inchl: InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Melting_Point: | 176-1800C |
|---|---|
| CAS: | 112887-68-0 |
| MF: | C21H22N4O6S |
| Flash_Point: | N/A |
| Product_Name: | Raltitrexed |
| Density: | 1.5±0.1 g/cm3 |
| FW: | 458.488 |
| Bolling_Point: | N/A |
| Refractive_Index: | 1.692 |
|---|---|
| LogP: | -1.28 |
| FW: | 458.488 |
| PSA: | 180.93000 |
| Computational_Chemistry: | ['1. XlogP :14 ', '2. Hydrogen Bond Donor Count :4 ', '3. Hydrogen Bond Acceptor Count :8 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :20 ', '6. TPSA 177 ', '7. Heavy Atom Count :32 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :790 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Melting_Point: | 176-1800C |
| MF: | C21H22N4O6S |
| Exact_Mass: | 458.126007 |
| Molecular_Structure: | ['1 . Molar refractive index 11735 ', '2 . Molar volume 3061 ', '3 . Parachor （902K）3061 ', '4 . Surface tension 630 ', '5 . Polarizability 4652'] |
| Density: | 1.5±0.1 g/cm3 |
| More_Info: | ['1. Appearance 淡Yellow 粉末 ', '2. Melting point（ºC）180～184 ', '3. Solubility Soluble in Water 。'] |
| Hazard_Class: | 8 |
|---|---|
| Risk_Statements(EU): | R36/38 |
| WGK_Germany: | 3 |
| RIDADR: | UN 3265 8/PG 2 |
| Hazard_Codes: | Xi: Irritant; |
| Safety_Statements: | S26-S36/37/39-S45-S25 |
| Packing_Group: | II |
