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Paliperidone Palmitate-[d4]

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General Information
Catalog: BLP-003719
CAS: 1794685-21-4
Molecular Formula: C39H53D4FN4O4
Molecular Weight: 668.93

Chemical Structure

Description	Paliperidone Palmitate-[d4], is the labelled analogue of Paliperidone Palmitate, which is an impurity of Paliperidone. Paliperidone is a dopamine antagonist and 5-HT2A antagonist of the atypical antipsychotic class of medications.
Synonyms	Paliperidone-D4 palmitate
IUPAC Name	[2-methyl-4-oxo-3-[1,1,2,2-tetradeuterio-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] hexadecanoate
Related CAS	199739-10-1 (unlabelled)
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)OC1CCCN2C1=NC(=C(C2=O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C
InChI	InChI=1S/C39H57FN4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-36(45)47-34-17-16-24-44-38(34)41-29(2)32(39(44)46)23-27-43-25-21-30(22-26-43)37-33-20-19-31(40)28-35(33)48-42-37/h19-20,28,30,34H,3-18,21-27H2,1-2H3/i23D2,27D2
InChI Key	VOMKSBFLAZZBOW-YPEWPAAVSA-N
Boiling Point	736.3±70.0°C at 760 mmHg
Melting Point	106-108°C
Purity	95% by CP; 98% atom D
Density	1.2±0.1 g/cm3
Solubility	Soluble in Chloroform, Ethyl Acetate
Appearance	White to Light Beige Solid
Storage	Store at-20°C