Products 1189859-26-4

CAS 1189859-26-4 appears in our catalog under these names: rac 8,14-Dihydroxy Efavirenz-d4, >95% (HPLC), (Rac)-8,14-Dihydroxy Efavirenz-d4. Offered by: TRC, MedChemExpress. Available pack sizes: 10mg, 1mg, 1 mg, 10 mg.

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

6-chloro-8-hydroxy-4-[2-(2,2,3,3-tetradeuterio-1-hydroxycyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one (CAS 1189859-26-4) is a chemical compound with the molecular formula C14H9ClF3NO4 and a molecular weight of 351.70 g/mol. IUPAC name: 6-chloro-8-hydroxy-4-[2-(2,2,3,3-tetradeuterio-1-hydroxycyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one. InChIKey: WILFXLMJFSKQRP-LNLMKGTHSA-N.

Identity
Molecular formulaC14H9ClF3NO4
Molecular weight351.70 g/mol
IUPAC name6-chloro-8-hydroxy-4-[2-(2,2,3,3-tetradeuterio-1-hydroxycyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
InChIKeyWILFXLMJFSKQRP-LNLMKGTHSA-N
SMILES[2H]C1(C(C1(C#CC2(C3=C(C(=CC(=C3)Cl)O)NC(=O)O2)C(F)(F)F)O)([2H])[2H])[2H]

Computed by PubChem (NCBI)