Tiotropium bromide Impurity 16

cas: 1978292-75-9 — see every product listed under this CAS number, including other names

Tiotropium bromide Impurity 16 (CAS 1978292-75-9) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-T201616
cas1978292-75-9
sizeon request
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Structural formula: {0} (CAS {1})

[(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 (CAS 1978292-75-9) is a chemical compound with the molecular formula C19H22BrNO4S2 and a molecular weight of 472.4 g/mol. IUPAC name: [(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. InChIKey: BALCMZZLILDTJR-RHOJTKDKSA-M.

Identity
Molecular formulaC19H22BrNO4S2
Molecular weight472.4 g/mol
IUPAC name[(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
InChIKeyBALCMZZLILDTJR-RHOJTKDKSA-M
SMILESC[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(C4=CSC=C4)(C5=CC=CS5)O)C.[Br-]

Computed by PubChem (NCBI)

Synonyms: Tiotropium Bromide Impurity 16
Isomers (same molecular formula)
[(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

Also listed as

Tiotropium Bromide Impurity 5 (Iso Tiotropium Bromide Impurity) Bromide Chemat Brand CAS 1978292-75-9