Ipratropium (bromide hydrate)

Chemical Information
Ipratropium bromide hydrate is the monohydrate form of ipratropium bromide. An anticholinergic drug, ipratropium bromide blocks the muscarinic cholinergic receptors in the smooth muscles of the bronchi in the lungs. This opens the bronchi, so providing relief in chronic obstructive pulmonary disease and acute asthma. It has a role as a bronchodilator agent and a muscarinic antagonist. It contains an ipratropium bromide.
| CAS Number | 66985-17-9 |
| PubChem CID | 16738693 |
| IUPAC Name | [(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;bromide;hydrate |
| Molecular Formula | C20H32BrNO4 |
| Molecular Weight | 430.4 |
| Topological Polar Surface Area | 47.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 430 |
| Property | Value |
|---|---|
| Molecular Weight | 430.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 429.15147 |
| Monoisotopic Mass | 429.15147 |
| Topological Polar Surface Area | 47.5 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 430 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |
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