Tiotropium EP Impurity I

cas: 136521-48-7 — see every product listed under this CAS number, including other names

Tiotropium EP Impurity I (CAS 136521-48-7) is a chemical reagent available from Chemat. Available pack sizes: on request, 2mg, 1mg, 5mg, 10mg, 25mg. Offered by: Chemat Brand, Biosynth.

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catalog numberRM-T201609
cas136521-48-7
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[(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 (CAS 136521-48-7) is a chemical compound with the molecular formula C19H22BrNO4S2 and a molecular weight of 472.4 g/mol. IUPAC name: [(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. InChIKey: DQHNAVOVODVIMG-DHTGCHNQSA-M.

Identity
Molecular formulaC19H22BrNO4S2
Molecular weight472.4 g/mol
IUPAC name[(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
InChIKeyDQHNAVOVODVIMG-DHTGCHNQSA-M
SMILESC[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.[Br-]

Computed by PubChem (NCBI)

Synonyms: Tiotropium EP Impurity I
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
[(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 Bromide Impurity 22 Bromide Chemat Brand CAS 136521-48-7
Tiotropium Bromide Impurity 9（Tiotropium Bromide EP Impurity I） Hubei YoungXin CAS 136521-48-7
(1alpha,2beta,4beta,5alpha,7alpha)-7-((Hydroxydi-2-thienylacetyl)oxy)-9,9-dimethyl-3-Oxa-9-azoniatricyclo(3.3.1.02,4)nonane Bromide TRC CAS 136521-48-7
(1R,2R,4S,5S,7r)-7-(2-hydroxy-2,2-di(thiophen-2-yl)acetoxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium bromide, 99%, 99% Chemat CAS 136521-48-7