Products 1004312-94-0

CAS 1004312-94-0 appears in our catalog under these names: M3 receptor antagonist 1, CHF5407, 99.68%, CHF5407. Offered by: GLPBio, MedChemExpress, Chemat. Available pack sizes: 1mg, 10mg, 20mg, 5mg, 100 mg, 10 mg, 5 mg, 50 mg.

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

[(3R)-1-(2-oxo-2-thiophen-2-ylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]carbamate bromide (CAS 1004312-94-0) is a chemical compound with the molecular formula C27H25BrF4N2O3S and a molecular weight of 613.5 g/mol. IUPAC name: [(3R)-1-(2-oxo-2-thiophen-2-ylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]carbamate bromide. InChIKey: BDUVQZSIMOIWQB-JTOZIPDCSA-M.

Identity
Molecular formulaC27H25BrF4N2O3S
Molecular weight613.5 g/mol
IUPAC name[(3R)-1-(2-oxo-2-thiophen-2-ylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]carbamate bromide
InChIKeyBDUVQZSIMOIWQB-JTOZIPDCSA-M
SMILESC1C[N+]2(CCC1[C@H](C2)OC(=O)N(CC3=CC(=C(C(=C3)F)F)F)C4=CC(=CC=C4)F)CC(=O)C5=CC=CS5.[Br-]

Computed by PubChem (NCBI)