ChemicalBook--->CAS DataBase List--->1404053-61-7

1404053-61-7

1404053-61-7 Structure

1404053-61-7 Structure
IdentificationBack Directory
[Name]

VFEKGVCVKCZZRU-UHFFFAOYSA-N
[CAS]

1404053-61-7
[Synonyms]

Paliperidone Impurity 33
Paliperidone Impurity PPE
VFEKGVCVKCZZRU-UHFFFAOYSA-N
Paliperidone Pentadecanoate
3-(2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-9-yl pentadecanoate
Pentadecanoic Acid 3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl Ester
[Molecular Formula]

C38H55FN4O4
[MOL File]

1404053-61-7.mol
[Molecular Weight]

650.87
Chemical PropertiesBack Directory
[Melting point ]

120 - 122°C
[Boiling point ]

727.6±70.0 °C(Predicted)
[density ]

1.20±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly, Sonicated)
[form ]

Solid
[pka]

8.07±0.10(Predicted)
[color ]

Off-White
[InChIKey]

VFEKGVCVKCZZRU-UHFFFAOYSA-N
[SMILES]

C(OC1C2N(CCC1)C(=O)C(CCN1CCC(C3C4=C(ON=3)C=C(F)C=C4)CC1)=C(C)N=2)(=O)CCCCCCCCCCCCCC
Hazard InformationBack Directory
[Uses]

Pentadecanoic Acid 3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl ester is a derivative of Paliperidone palmitate (P141020). Paliperidone palmitate is a long-acting injectable antipsychotic agent that is used to treat patients with schizophrenia.
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