O-Desmethyl Gefitinib
- Product NameO-Desmethyl Gefitinib
- CAS847949-49-9
- MFC21H22ClFN4O3
- MW432.88
- EINECS
- MOL File847949-49-9.mol
Chemical Properties
| Melting point | 117-120C |
| Boiling point | 606.402±55.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.386±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| storage temp. | -20°C Freezer |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 7.562±0.40(predicted) |
| color | Yellow |
| biological source | synthetic |
| Stability | Hygroscopic |
| InChI | 1S/C21H22ClFN4O3/c22-16-10-14(2-3-17(16)23)26-21-15-11-20(19(28)12-18(15)24-13-25-21)30-7-1-4-27-5-8-29-9-6-27/h2-3,10-13,28H,1,4-9H2,(H,24,25,26) |
| InChIKey | IFMMYZUUCFPEHR-UHFFFAOYSA-N |
| SMILES | Fc1c(cc(cc1)Nc2ncnc3c2cc(c(c3)O)OCCCN4CCOCC4)Cl |
Safety Information
| Safety Statements | 24/25 |
| WGK Germany | WGK 3 |
| HS Code | 29349990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
