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Paliperidone Impurity 13
[CAS# 1404053-62-8]

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Identification
Name Paliperidone Impurity 13
Synonyms [3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] heptadecanoate
Molecular Structure CAS # 1404053-62-8, Paliperidone Impurity 13, [3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] heptadecanoate
Molecular Formula C40H59FN4O4
Molecular Weight 678.92
CAS Registry Number 1404053-62-8
SMILES CCCCCCCCCCCCCCCCC(=O)OC1CCCN2C1=NC(=C(C2=O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C
Properties
Density 1.2±0.1 g/cm3, Calc.*
Index of Refraction 1.587, Calc.*
Boiling Point 745.0±70.0 ºC (760 mmHg), Calc.*
Flash Point 404.4±35.7 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
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