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Brexpiprazole Impurity 52
[CAS# 2137823-20-0]

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Identification
Name Brexpiprazole Impurity 52
Synonyms 7-{4-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]butoxy}-1-{4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl}-1,2-dihydroquinolin-2-one
Molecular Structure CAS # 2137823-20-0, Brexpiprazole Impurity 52, 7-{4-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]butoxy}-1-{4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl}-1,2-dihydroquinolin-2-one
Molecular Formula C41H47N5O2S2
Molecular Weight 705.97
CAS Registry Number 2137823-20-0
SMILES C1CN(CCN1CCCCN2C(=O)C=CC3=C2C=C(C=C3)OCCCCN4CCN(CC4)C5=C6C=CSC6=CC=C5)C7=C8C=CSC8=CC=C7
Properties
Density 1.2±0.1 g/cm3, Calc.*
Index of Refraction 1.662, Calc.*
Boiling Point 854.2±65.0 ºC (760 mmHg), Calc.*
Flash Point 470.4±34.3 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
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