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| Chemical manufacturer since 2018 | ||||
| Name | Brexpiprazole Impurity 31 |
|---|---|
| Synonyms | 2,7-Bis({4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy})quinoline |
| Molecular Structure | ![CAS # 2138169-93-2, Brexpiprazole Impurity 31, 2,7-Bis({4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy})quinoline](/structures/2138169-93-2.gif) |
| Molecular Formula | C41H47N5O2S2 |
| Molecular Weight | 705.97 |
| CAS Registry Number | 2138169-93-2 |
| SMILES | C1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(=N3)OCCCCN4CCN(CC4)C5=C6C=CSC6=CC=C5)C7=C8C=CSC8=CC=C7 |
| Density | 1.2±0.1 g/cm3, Calc.* |
|---|---|
| Index of Refraction | 1.668, Calc.* |
| Boiling Point | 862.6±65.0 ºC (760 mmHg), Calc.* |
| Flash Point | 475.5±34.3 ºC, Calc.* |
| * | Calculated using Advanced Chemistry Development (ACD/Labs) Software. |
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