Products 1126775-44-7

CAS 1126775-44-7 appears in our catalog under these names: Tiotropium-d6 Bromide, Tiotropium-d6 (bromide), 94.59%. Offered by: Chemat Brand, MedChemExpress. Available pack sizes: on request, 1 mg.

Tiotropium-d6 Bromide
Chemat Brand
  • size: on request
  • Variants: 1
View product
Tiotropium-d6 (bromide), 94.59%
MedChemExpress
  • size: 1 mg
  • Variants: 1
from 4294.96
View product
Structural formula: {0} (CAS {1})

[(1S,2S,4R,5R)-9,9-bis(trideuteriomethyl)-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate bromide (CAS 1126775-44-7) is a chemical compound with the molecular formula C19H22BrNO4S2 and a molecular weight of 478.5 g/mol. IUPAC name: [(1S,2S,4R,5R)-9,9-bis(trideuteriomethyl)-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate bromide. InChIKey: DQHNAVOVODVIMG-XRBRPDOVSA-M.

Identity
Molecular formulaC19H22BrNO4S2
Molecular weight478.5 g/mol
IUPAC name[(1S,2S,4R,5R)-9,9-bis(trideuteriomethyl)-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate bromide
InChIKeyDQHNAVOVODVIMG-XRBRPDOVSA-M
SMILES[2H]C([2H])([2H])[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C([2H])([2H])[2H].[Br-]

Computed by PubChem (NCBI)

Synonyms: Tiotropium-d6 Bromide, Tiotropium-d6 (bromide)
Related forms of this compound
[(1R,2R,4S,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate bromide C19H22BrNO4S2
[(1R,2S,4S,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate bromide C19H22BrNO4S2
[(1R,2S,4R,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate bromide C19H22BrNO4S2
Isomers (same molecular formula)
[(1S,2S,4R,5R)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate bromide C19H22BrNO4S2