Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C26H30BrNO4S2
- Molecular weight
- 564.6 g/mol
- IUPAC name
- [(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate bromide
- SMILES
- C1C[N+]2(CCC1[C@H](C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5.[Br-]
- InChIKey
- XLAKJQPTOJHYDR-QTQXQZBYSA-M
- Polar surface area
- 112 Ų
- H-bond donors
- 1
- H-bond acceptors
- 7
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Max clinical phase
- Approved
- Molecule type
- Small molecule
- First approval
- 2012
- Admin. routes
- topical
- Indications
- chronic obstructive pulmonary disease, Airway obstruction, emphysema, chronic bronchitis
via ChEMBL · EBI
Wikidata facts
- Mass
- 563.07996254
Show 4 more facts
- isomeric SMILES
- C1C[N+]2(CCC1[C@H](C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5.[Br-]
- chemical formula
- C₂₆H₃₀BrNO₄S₂
- canonical SMILES
- C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5.[Br-]
- Commons category
- Aclidinium bromide
Sources (2)
via Wikidata · CC0