7-((Hydroxy-2-thienyl-3-thienylacetyl)oxy)-9,9-dimethyl-3-Oxa-9-azoniatricyclo(3.3.1.02,4)nonane Bromide, >95% (HPLC)

cas: 136431-94-2 — see every product listed under this CAS number, including other names

7-((Hydroxy-2-thienyl-3-thienylacetyl)oxy)-9,9-dimethyl-3-Oxa-9-azoniatricyclo(3.3.1.02,4)nonane Bromide, >95% (HPLC) (CAS 136431-94-2) is a chemical reagent available from Chemat. Available pack sizes: 50mg. Offered by: TRC.

• 2D
• 3D

[(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 (CAS 136431-94-2) is a chemical compound with the molecular formula C19H22BrNO4S2 and a molecular weight of 472.4 g/mol. IUPAC name: [(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. InChIKey: DQHNAVOVODVIMG-CJTHRXGHSA-M.

Identity

Molecular formula	C19H22BrNO4S2
Molecular weight	472.4 g/mol
IUPAC name	[(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
InChIKey	DQHNAVOVODVIMG-CJTHRXGHSA-M
SMILES	C[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)

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

[9-methyl-9-(trideuteriomethyl)-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