149709-44-4
| Name | Sacubitril Impurity 7 |
| CAS | 149709-44-4 |
| Molecular Formula | C22H25NO5 |
| MDL Number | MFCD00921225 |
| Molecular Weight | 383.44 |
| MOL File | 149709-44-4.mol |
Chemical Properties
| Boiling point | 705.4±60.0 °C(Predicted) |
| density | 1?+-.0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMF:30.0(Max Conc. mg/mL);78.24(Max Conc. mM) DMSO:77.0(Max Conc. mg/mL);200.81(Max Conc. mM) Ethanol:77.0(Max Conc. mg/mL);200.81(Max Conc. mM) Ethanol:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);1.3(Max Conc. mM) |
| form | A crystalline solid |
| pka | 4.59±0.23(Predicted) |
| color | White to off-white |
| Optical Rotation | [α]/D -35 to -27°, c =1 in methanol |
| InChIKey | DOBNVUFHFMVMDB-BEFAXECRSA-N |
| SMILES | OC(CCC(N[C@H](CC1=CC=C(C2=CC=CC=C2)C=C1)C[C@H](C(O)=O)C)=O)=O |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| WGK Germany | WGK 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | STOT RE 1 STOT SE 3 |