Paliperidone Impurity B
[CAS# 1172995-13-9]

Identification

• Name: Paliperidone Impurity B
• 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] octadecanoate
• Molecular Formula: C₄₁H₆₁FN₄O₄
• Molecular Weight: 692.95
• CAS Registry Number: 1172995-13-9
• SMILES: CCCCCCCCCCCCCCCCCC(=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: 1.584, Calc.^*
• Boiling Point: 753.7±70.0 ºC (760 mmHg), Calc.^*
• Flash Point: 409.6±35.7 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.