rac 7-Hydroxy Efavirenz-d4 (Major)

• CAT Number: R009194
• CAS Number: 1189857-89-3
• Molecular Formula: C14H9ClF3NO3
• Molecular Weight: 335.7
• Purity: ≥95%
• Synonyms: 6-Chloro-4-(cyclopropyl-d4-ethynyl)-1,4-dihydro-7-hydroxy-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one
• Storage: Store at -20°C
• IUPAC Name: 6-chloro-7-hydroxy-4-[2-(2,2,3,3-tetradeuteriocyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
• InChI: InChI=1S/C14H9ClF3NO3/c15-9-5-8-10(6-11(9)20)19-12(21)22-13(8,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)/i1D2,2D2
• InChIKey: GZMDZAYFVCXHFM-LNLMKGTHSA-N
• SMILES: [2H]C1(C(C1([2H])[2H])C#CC2(C3=CC(=C(C=C3NC(=O)O2)O)Cl)C(F)(F)F)[2H]

Rac 7-Hydroxy Efavirenz-d4 is a stable isotope-labeled derivative of 7-Hydroxy Efavirenz, a metabolite of Efavirenz, an HIV-1 non-nucleoside reverse transcriptase inhibitor. This compound is primarily used as a research tool in pharmacokinetic studies and metabolic profiling of Efavirenz in biological samples. In pharmaceutical chemistry, it serves to elucidate metabolic pathways and interactions within the body, aiding in drug development and therapeutic optimization. Its isotopic labeling allows for precise quantification and tracing of metabolic transformations in organic chemistry research, contributing to advancements in drug metabolism studies and analytical methodologies.