Des-cyclopropyl,propyl Efavirenz (N-C3)Dimer (Mixture of Diastereomers)

Ref. TR-C360050

Product Information

• Name: Des-cyclopropyl,propyl Efavirenz (N-C3)Dimer (Mixture of Diastereomers)
• Synonyms: (4S)-6-chloro-1-[1-[(4S)-6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]pent-1-yn-3-yl]-4-pent-1-ynyl-4-(trifluoromethyl)-3,1-benzoxazin-2-one
• Brand: TRC
• Description: Applications (4S)-6-Chloro-1-(1-((S)-6-chloro-2-oxo-4-(trifluoromethyl)-2,4-dihydro-1H-benzo[d][1,3]oxazin-4-yl)pent-1-yn-3-yl)-4-(pent-1-yn-1-yl)-4-(trifluoromethyl)-1H-benzo[d][1,3]oxazin-2(4H)-one is an impurity of Efavirenz (E425000) which is a nonnucleoside HIV-1 reverse transcriptase inhibitor. Antiviral.References Young, S.D., et al.: Antimicrob. Ag. Chemother., 39, 2602 (1995),

Chemical properties

• Molecular weight: 633.366
• Formula: C₂₈H₂₀Cl₂F₆N₂O₄
• Color/Form: Neat
• InChI: InChI=1S/C28H20Cl2F6N2O4/c1-3-5-6-12-25(27(31,32)33)20-15-17(30)8-10-22(20)38(24(40)42-25)18(4-2)11-13-26(28(34,35)36)19-14-16(29)7-9-21(19)37-23(39)41-26/h7-10,14-15,18H,3-5H2,1-2H3,(H,37,39)/t18?,25-,26-/m0/s1
• SMILES: CCCC#C[C@]1(C(F)(F)F)OC(=O)N(C(C#C[C@]2(C(F)(F)F)OC(=O)Nc3ccc(Cl)cc32)CC)c2ccc(Cl)cc21