Products 1132642-95-5

CAS 1132642-95-5 appears in our catalog under these names: rac Efavirenz-d5 (major), >95% (HPLC), (±)–Efavirenz–d5, Efavirenz-d5. Offered by: TRC, GLPBio, Biosynth, MedChemExpress. Available pack sizes: 0,5mg, 5mg, 1mg, 10mg, 25mg, 50mg, 500 μg.

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

(4S)-6-chloro-4-[2-(1,2,2,3,3-pentadeuteriocyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one (CAS 1132642-95-5) is a chemical compound with the molecular formula C14H9ClF3NO2 and a molecular weight of 320.70 g/mol. IUPAC name: (4S)-6-chloro-4-[2-(1,2,2,3,3-pentadeuteriocyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one. InChIKey: XPOQHMRABVBWPR-XWJABCKYSA-N.

Identity
Molecular formulaC14H9ClF3NO2
Molecular weight320.70 g/mol
IUPAC name(4S)-6-chloro-4-[2-(1,2,2,3,3-pentadeuteriocyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
InChIKeyXPOQHMRABVBWPR-XWJABCKYSA-N
SMILES[2H]C1(C(C1([2H])C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F)([2H])[2H])[2H]

Computed by PubChem (NCBI)