Olodaterol/tiotropium bromide
[(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
Molecular Identity
Olodaterol/tiotropium bromide
[(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
PubChem CID: 5487426
Tiotropium bromide is an organic bromide salt having (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane as the counterion. Used (in the form of the hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease. It has a role as a bronchodilator agent and a muscarinic antagonist. It is a quaternary ammonium salt and an organic bromide salt.
2D Structure
Properties
C19H22BrNO4S2
Molecular Formula
472.40
Molecular Weight
g/mol
471.0174
Exact Mass
Da
116
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
564
Complexity
SMILES
Canonical SMILES
SMILES: C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-]Isomeric SMILES
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-]Synonyms(20)
Olodaterol/tiotropium bromideRefChem:1093881TIOTROPIUM BROMIDE136310-93-5SpirivaTiotropium (Bromide)Spiriva Handihaler(1R,2R,4S,5S,7s)-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 bromideBA 679BRBA 679 BRBA-679 BRDTXSID2044214Spiriva RespimatMFCD00867027XX112XZP0J
Data from PubChem (NCBI)
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