147254-64-6
| Name | (3R)-2'-(4-Bromo-2-fluorobenzyl)spiro[pyrrolidine-3,4'-1'H-pyrrolo[1,2-a]pyrazine]-1',2,3',5(2'H)-tetraone |
| CAS | 147254-64-6 |
| Molecular Formula | C17H11BrFN3O4 |
| MDL Number | MFCD00920915 |
| Molecular Weight | 420.19 |
| MOL File | 147254-64-6.mol |
Chemical Properties
| Melting point | 192-193℃ |
| Boiling point | 702.7±60.0 °C(Predicted) |
| density | 1.83 |
| storage temp. | Sealed in dry,Store in freezer, under -20°C |
| solubility | DMSO: 20mg/mL, clear |
| form | Solid |
| pka | 10.48±0.20(Predicted) |
| color | Off-white to pink |
| Optical Rotation | [α]/D -5 to -10°, c =1.0 in methanol |
| InChI | 1S/C17H11BrFN3O4/c18-10-4-3-9(11(19)6-10)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)/t17-/m1/s1 |
| InChIKey | QCVNMNYRNIMDKV-QGZVFWFLSA-N |
| SMILES | O=C(N1CC2=C(F)C=C(Br)C=C2)C3=CC=CN3[C@@]4(CC(NC4=O)=O)C1=O |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |