Raltitrexed
- Product NameRaltitrexed
- CAS112887-68-0
- CBNumberCB1222070
- MFC21H22N4O6S
- MW458.49
- EINECS652-997-2
- MDL NumberMFCD00864168
- MOL File112887-68-0.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 176-1800C |
| Density | 1.49±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | H2O: ≥10mg/mL |
| pka | 3.50±0.10(Predicted) |
| form | solid |
| color | off-white to light yellow |
| Water Solubility | H2O: ≥10mg/mL DMSO: ≥40mg/mL |
| InChIKey | IVTVGDXNLFLDRM-HNNXBMFYSA-N |
| SMILES | C(O)(=O)[C@H](CCC(O)=O)NC(C1SC(N(CC2C=CC3=C(C=2)C(=O)NC(C)=N3)C)=CC=1)=O |&1:3,r| |
| CAS DataBase Reference | 112887-68-0(CAS DataBase Reference) |
| NCI Dictionary of Cancer Terms | ICI D1694; raltitrexed |
| FDA UNII | FCB9EGG971 |
| NCI Drug Dictionary | raltitrexed |
| ATC code | L01BA03 |
| UNSPSC Code | 12352200 |
| NACRES | NA.77 |
Safety
| Symbol(GHS) |
 
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| Signal word | Danger | |||||||||
| Hazard statements | H300-H360 | |||||||||
| Precautionary statements | P201-P301+P310+P330 | |||||||||
| Hazard Codes | Xi,T | |||||||||
| Risk Statements | 36/38-25-61 | |||||||||
| Safety Statements | 26-37/39-45-53 | |||||||||
| RIDADR | UN 2811 6.1 / PGIII | |||||||||
| WGK Germany | 2 | |||||||||
| HS Code | 2934.99.4700 | |||||||||
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials | |||||||||
| Hazard Classifications | Acute Tox. 2 Oral Repr. 1B | |||||||||
| NFPA 704: |
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