CAS 1346600-39-2

Aripiprazole-d8 N4-Oxide

Description:

Aripiprazole-d8 N4-Oxide is a deuterated derivative of aripiprazole, an atypical antipsychotic medication primarily used to treat schizophrenia and bipolar disorder. The "d8" designation indicates that the compound contains eight deuterium atoms, which are isotopes of hydrogen, replacing regular hydrogen atoms in the molecular structure. This modification enhances the compound's stability and can improve its pharmacokinetic properties, making it useful in research applications, particularly in studies involving drug metabolism and pharmacodynamics. The N4-oxide designation suggests the presence of an oxidized nitrogen atom in the molecule, which may influence its biological activity and interaction with neurotransmitter systems. Aripiprazole-d8 N4-Oxide is typically characterized by its molecular weight, solubility in organic solvents, and specific spectral properties, such as NMR and mass spectrometry, which are essential for confirming its structure and purity in laboratory settings. As a research chemical, it is primarily utilized in scientific studies rather than for direct therapeutic use.

Formula: C₂₃H₁₉Cl₂D₈N₃O₃

InChI: InChI=1S/C23H27Cl2N3O3/c24-19-4-3-5-21(23(19)25)28(30)13-11-27(12-14-28)10-1-2-15-31-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)/i1D2,2D2,10D2,15D2

InChI key: InChIKey=FDTVYHFBHZGERN-BQLKVSHCSA-N

SMILES: O=N1(CCN(C(C(C(C(OC=2C=C3C(=CC2)CCC(=O)N3)([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])CC1)C4=C(Cl)C(Cl)=CC=C4

Synonyms:

• Aripiprazole-d8 N4-Oxide
• 7-[4-[4-(2,3-Dichlorophenyl)-4-oxido-1-piperazinyl-d8]butoxy]-3,4-dihydro-2(1H)-quinolinone
• 7-[1,1,2,2,3,3,4,4-Octadeuterio-4-[4-(2,3-dichlorophenyl)-4-oxidopiperazin-4-ium-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one