CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 62.9 [ug/mL] (The mean of the results at pH 7.4) |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 679.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 679.26758446 g/mol |
| Monoisotopic Mass | 679.26758446 g/mol |
| Topological Polar Surface Area | 181 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 1260 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
A mixture of three different hydrogenated derivatives of ERGOTAMINE: DIHYDROERGOCORNINE; DIHYDROERGOCRISTINE; and DIHYDROERGOCRYPTINE. Dihydroergotoxine has been proposed to be a neuroprotective agent and a nootropic agent. The mechanism of its therapeutic actions is not clear, but it can act as an alpha-adrenergic antagonist and a dopamine agonist. The methanesulfonate salts of this mixture of alkaloids are called ERGOLOID MESYLATES.