Products 154598-52-4

CAS 154598-52-4 appears in our catalog under these names: (4S)-6-CHLORO-4-(CYCLOPROPYLETHYNYL)-1,4-DIHYDRO-4-(TRIFLUOROMETHYL)-2H-3,1-BENZOXAZIN-2-ONE, 98%, (S)-6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1H-benzo[d][1,3]oxazin-2(4H)-one, 98%, Efavirenz, 98%, Efavirenz, (S)-Efavirenz, >95% (HPLC). Offered by: Fluorochem, Chemat Brand, Combi-blocks, Hubei YoungXin, TRC. Available pack sizes: 10mg, 250mg, 1g, 5g, on request, 25g, 100g, 25mg.

Structural formula: {0} (CAS {1})

Efavirenz is 1,4-Dihydro-2H-3,1-benzoxazin-2-one substituted at the 4 position by cyclopropylethynyl and trifluoromethyl groups (S configuration) and at the 6 position by chlorine. A non-nucleoside reverse transcriptase inhibitor with activity against HIV, it is used with other antiretrovirals for combination therapy of HIV infection. It has a role as an antiviral drug and a HIV-1 reverse transcriptase inhibitor. It is an organochlorine compound, an organofluorine compound, a benzoxazine, a member of cyclopropanes and an acetylenic compound.

Source: ChEBI

Identity
Molecular formulaC14H9ClF3NO2
Molecular weight315.67 g/mol
IUPAC name(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
InChIKeyXPOQHMRABVBWPR-ZDUSSCGKSA-N
SMILESC1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F

Computed by PubChem (NCBI)