Pergolide (mesylate) (Standard)

Chemical Information
Pergolide mesylate is a methanesulfonate salt obtained from pergolide by mixing eqimolar amount of pergolide and methanesulfonic acid. A dopamine D2 receptor agonist which also has D1 and D2 agonist properties, it is used in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction. It has a role as a geroprotector, an antiparkinson drug and a dopamine agonist. It contains a pergolide(1+).
| CAS Number | 66104-23-2 |
| PubChem CID | 47812 |
| IUPAC Name | (6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;methanesulfonic acid |
| Molecular Formula | C20H30N2O3S2 |
| Molecular Weight | 410.6 |
| Topological Polar Surface Area | 107 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 480 |
| Property | Value |
|---|---|
| Molecular Weight | 410.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 410.16978517 |
| Monoisotopic Mass | 410.16978517 |
| Topological Polar Surface Area | 107 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 480 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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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