Netupitant metabolite Netupitant N-oxide

• CAT Number: I005427
• CAS Number: 910808-11-6
• Molecular Formula: C30H32F6N4O2
• Molecular Weight: 594.59
• Purity: ≥95%
• Target: Drug Metabolite
• Solubility: 10 mM in DMSO
• Storage: Desiccate at -20C
• IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-4-(2-methylphenyl)pyridin-3-yl]propanamide
• InChI: InChI=1S/C30H32F6N4O2/c1-19-8-6-7-9-23(19)24-17-26(39-10-12-40(5,42)13-11-39)37-18-25(24)38(4)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3
• InChIKey: FKUOVQVMCOPBJS-UHFFFAOYSA-N
• SMILES: CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CC[N+](CC4)(C)[O-]

Netupitant N-oxide（Cat No.:I005427）is a metabolite of netupitant, a selective neurokinin-1 (NK1) receptor antagonist used to prevent nausea and vomiting associated with chemotherapy. Netupitant works by blocking the action of substance P, a neurotransmitter involved in the vomiting reflex. After administration, netupitant undergoes metabolic conversion, and one of its major metabolites is netupitant N-oxide. This metabolite is formed via the oxidation of the nitrogen atom in the netupitant structure. Although it is not pharmacologically active, the presence of netupitant N-oxide is important for understanding the drug’s metabolism and potential side effects in patients.