Scopolamine butylbromide

Chemical Information
Butylscopolamine bromide is an organic bromide salt of butylscopolamine. It is an antispasmodic drug which can relieve painful stomach cramps (including those linked with irritable bowel syndrome), bladder and menstrual cramps. It has a role as a muscarinic antagonist and an antispasmodic drug. It is a quaternary ammonium salt and an organic bromide salt. It contains a butylscopolamine.
| CAS Number | 149-64-4 |
| PubChem CID | 6852391 |
| IUPAC Name | [(1R,2R,4S,5S)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate bromide |
| Molecular Formula | C21H30BrNO4 |
| Molecular Weight | 440.4 |
| Topological Polar Surface Area | 59.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 500 |
| Property | Value |
|---|---|
| Molecular Weight | 440.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 439.13582 |
| Monoisotopic Mass | 439.13582 |
| Topological Polar Surface Area | 59.1 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 500 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
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