Tiotropium bromide Impurity 13

cas: 1459721-06-2 — see every product listed under this CAS number, including other names

Tiotropium bromide Impurity 13 (CAS 1459721-06-2) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

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catalog numberRM-T201613
cas1459721-06-2
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Structural formula: {0} (CAS {1})

[(1R,4S,5S,7R)-6-methyl-2-oxa-6-azatricyclo[3.3.1.03,7]nonan-4-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate (CAS 1459721-06-2) is a chemical compound with the molecular formula C18H19NO4S2 and a molecular weight of 377.5 g/mol. IUPAC name: [(1R,4S,5S,7R)-6-methyl-2-oxa-6-azatricyclo[3.3.1.03,7]nonan-4-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate. InChIKey: JGKFYVOJFRHWBU-URRHKYEHSA-N.

Identity
Molecular formulaC18H19NO4S2
Molecular weight377.5 g/mol
IUPAC name[(1R,4S,5S,7R)-6-methyl-2-oxa-6-azatricyclo[3.3.1.03,7]nonan-4-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate
InChIKeyJGKFYVOJFRHWBU-URRHKYEHSA-N
SMILESCN1[C@H]2C[C@H]3C[C@@H]1C([C@H]2OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)O3

Computed by PubChem (NCBI)

Synonyms: Tiotropium Bromide Impurity 13
Isomers (same molecular formula)
[(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate C18H19NO4S2
[(1R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate C18H19NO4S2
(2R,3aR,8bS)-1-(2,4,6-trimethylphenyl)sulfonyl-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole 2-oxide C18H19NO4S2

Also listed as

rel-(2R,3aR,5S,6S,6aS)-4-Methylhexahydro-2H-2,5-methanofuro(3,2-b)pyrrol-6-yl 2-hydroxy-2,2-di(thiophen-2-yl)acetate, >95% (HPLC) TRC CAS 1459721-06-2
Rel-(2R,3aR,5S,6S,6aS)-4-methylhexahydro-2H-2,5-methanofuro(3,2-b)pyrrol-6-yl 2-hydroxy-2,2-di(thiophen-2-yl)acetate Biosynth CAS 1459721-06-2