Tiotropium–d3 (bromide)

cas: 1127226-56-5 — see every product listed under this CAS number, including other names

Tiotropium–d3 (bromide) (CAS 1127226-56-5) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 500μg. Offered by: GLPBio.

brandGLPBio
catalog numberGC48182-1
cas1127226-56-5
size1mg
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Available pack sizes

brand size price
GLPBio 1mg 891.91 Pln
GLPBio 500μg 667.25 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

[9-methyl-9-(trideuteriomethyl)-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate bromide (CAS 1127226-56-5) is a chemical compound with the molecular formula C19H22BrNO4S2 and a molecular weight of 475.4 g/mol. IUPAC name: [9-methyl-9-(trideuteriomethyl)-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate bromide. InChIKey: DQHNAVOVODVIMG-NIIDSAIPSA-M.

Identity
Molecular formulaC19H22BrNO4S2
Molecular weight475.4 g/mol
IUPAC name[9-methyl-9-(trideuteriomethyl)-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate bromide
InChIKeyDQHNAVOVODVIMG-NIIDSAIPSA-M
SMILES[2H]C([2H])([2H])[N+]1(C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-]

Computed by PubChem (NCBI)

Synonyms: Tiotropium-d3 Bromide, C19H22BrNO4S2
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
[(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 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

Also listed as

Tiotropium-d3 Bromide, >95% (HPLC) TRC CAS 1127226-56-5
Tiotropium-d3 Bromide (N-methyl-d3), 99 atom % D, min 98% Chemical Purity CDN CAS 1127226-56-5
Tiotropium-d3 (bromide) MedChemExpress CAS 1127226-56-5