Aprepitant-13C2,d2 (Major)

• CAT Number: R006403
• CAS Number: 1217676-37-3
• Molecular Formula: C23H21F7N4O3
• Molecular Weight: 538.43
• Purity: ≥95%
• Synonyms: 5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one-13C2,d2; Emend-13C2,d2; MK-0869-13C2,d2
• Storage: -20°C
• IUPAC Name: 3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-1,2-dideuterioethoxy]-3-(4-fluorophenyl)morpholin-4-yl](113C)methyl]-(313C)1,4-dihydro-1,2,4-triazol-5-one
• InChI: InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1/i1D,11+1,12D,18+1
• InChIKey: ATALOFNDEOCMKK-IPWSJXMKSA-N
• SMILES: [2H]C[C@]([2H])(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)[13CH2][13C]3=NNC(=O)N3)C4=CC=C(C=C4)F

Aprepitant-13C2,d2 (Major)（Cat No.:R006403）is a high-purity, isotopically labeled compound essential for advanced pharmaceutical and biochemical research. This version of Aprepitant, enriched with two carbon-13 and two deuterium atoms, is crucial for studies on drug metabolism, pharmacokinetics, and NMR spectroscopy. The stable isotope labeling ensures precise and reliable analytical results, enhancing the accuracy of experimental data. Ideal for various research applications, Aprepitant-13C2,d2 (Major) integrates seamlessly into existing protocols, offering a robust and cost-effective solution for high-precision scientific investigations and the development of innovative therapeutic agents, particularly for antiemetic therapies.