Products 869113-45-1

CAS 869113-45-1 appears in our catalog under these names: Umeclidinium bromide Impurity 2, Umeclidinium Bromide Impurity 4 Bromide. Offered by: Chemat Brand. Available pack sizes: on request.

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

2-[4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethyl benzoate bromide (CAS 869113-45-1) is a chemical compound with the molecular formula C29H32BrNO3 and a molecular weight of 522.5 g/mol. IUPAC name: 2-[4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethyl benzoate bromide. InChIKey: UYHCLLDIQQNVPF-UHFFFAOYSA-M.

Identity
Molecular formulaC29H32BrNO3
Molecular weight522.5 g/mol
IUPAC name2-[4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethyl benzoate bromide
InChIKeyUYHCLLDIQQNVPF-UHFFFAOYSA-M
SMILESC1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOC(=O)C5=CC=CC=C5.[Br-]

Computed by PubChem (NCBI)