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Chemical structure of Paliperidone-d4

GC47857

Paliperidone-d4

Also known as 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

An internal standard for the quantification of paliperidone

ChemicalCAS1020719-55-4MW430.5FormulaC23H23D4FN4O3
CAS number
1020719-55-4
Molecular weight
430.5
Formula
C23H23D4FN4O3
Solubility
Chloroform： slightly soluble,DMSO： slightly soluble,Methanol： slightly soluble
InChIKey
PMXMIIMHBWHSKN-FJVJJXCISA-N
Catalogue number
GC47857
Brand
GLPBIO
Computed properties PubChem CID 25226608 · XLogP 2.2 · TPSA 82.2 Ų · H-bond donors 1
XLogP
2.2
TPSA
82.2 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
31

SMILES [2H]C([2H])(C1=C(N=C2C(CCCN2C1=O)O)C)C([2H])([2H])N3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

Computed descriptors from PubChem (CID 25226608), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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