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Paliperidone-[d4]

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General Information
Catalog: BLP-013074
CAS: 1020719-55-4
Molecular Formula: C23H23D4FN4O3
Molecular Weight: 430.52

Chemical Structure

Description	Paliperidone-[d4] is the labelled analogue of Paliperidone, which is a metabolite of Risperidone, a combined serotonin (5-HT2) and dopamine (D2) receptor antagonist.
Synonyms	Paliperidone D4; 3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl-d4]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one; 9-Hydroxyrisperidone-d4; R 76477-d4; Risperidone Impurity C (EP)-d4
IUPAC Name	9-hydroxy-2-methyl-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-4-one
Related CAS	144598-75-4 (unlabelled)
Isomeric SMILES	[2H]C([2H])(C1=C(N=C2C(CCCN2C1=O)O)C)C([2H])([2H])N3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
Canonical SMILES	CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
InChI	InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3/i8D2,12D2
InChI Key	PMXMIIMHBWHSKN-FJVJJXCISA-N
Melting Point	>156°C (dec.)
Purity	≥97%
Solubility	Soluble in Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Sonicated)
Appearance	White to Off-white Solid
Storage	Store at -20°C