2-Bromo alpha-Ergocryptine Mesylate

Chemical Information
Bromocriptine methanesulfonate is a methanesulfonate salt. It has a role as an antiparkinson drug. It contains a bromocriptine.
| CAS Number | 22260-51-1 |
| PubChem CID | 31100 |
| IUPAC Name | (6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid |
| Molecular Formula | C33H44BrN5O8S |
| Molecular Weight | 750.7 |
| Topological Polar Surface Area | 181 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 1320 |
| Property | Value |
|---|---|
| Molecular Weight | 750.7 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 749.20940 |
| Monoisotopic Mass | 749.20940 |
| Topological Polar Surface Area | 181 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 1320 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| 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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