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66104-23-2

66104-23-2 structural image
Product Name: Pergolide mesylate salt
Formula: C20H30N2O3S2
Synonyms: 8β-[(Methylthio)methyl]-6-propylergoline methanesulfonate salt;Pergolide mesylate salt;Pergolide methanesulfonate salt
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 2.3 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section 177.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H300:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 410.6 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 410.16978517 g/mol
Monoisotopic Mass 410.16978517 g/mol
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

PRODUCT INTRODUCTION

description

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which also has D1 and D2 agonist properties, it is used in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction.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 an antiparkinson drug, a dopamine agonist and a geroprotector. It contains a pergolide(1+).