Pergolide mesylateProduct ingredient for Pergolide
- Name
- Pergolide mesylate
- Drug Entry
- Pergolide
Pergolide is a long-acting dopamine agonist approved in 1982 for the treatment of Parkinson’s Disease. It is an ergot derivative that acts on the dopamine D2 and D3, alpha2- and alpha1-adrenergic, and 5-hydroxytryptamine (5-HT) receptors. It was indicated as adjunct therapy with levodopa/carbidopa in the symptomatic treatment of parkinsonian syndrome. It was later found that pergolide increased the risk of cardiac valvulopathy. The drug was withdrawn from the US market in March 2007 and from the Canadian market in August 2007. While the use of pergolide in humans is still approved in only some countries, pergolide is mainly used for veterinary purposes.
- Accession Number
- DBSALT002445
- Structure
Structure for Pergolide mesylate (DBSALT002445)
- Synonyms
- Pergolide mesilate / Pergolide methanesulfonate
- External IDs
- LY 127809 / LY-127809
- UNII
- 55B9HQY616
- CAS Number
- 66104-23-2
- Weight
- Average: 410.59
Monoisotopic: 410.169785182 - Chemical Formula
- C20H30N2O3S2
- InChI Key
- UWCVGPLTGZWHGS-ZORIOUSZSA-N
- InChI
- InChI=1S/C19H26N2S.CH4O3S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21;1-5(2,3)4/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3;1H3,(H,2,3,4)/t13-,16-,18-;/m1./s1
- IUPAC Name
- (2R,4R,7R)-4-[(methylsulfanyl)methyl]-6-propyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraene; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.[H][C@]1(CSC)CN(CCC)[C@]2([H])CC3=CNC4=CC=CC(=C34)[C@@]2([H])C1
- External Links
- ChemSpider
- 43504
- ChEBI
- 8021
- ChEMBL
- CHEMBL1275
- Wikipedia
- Pergolide
- Predicted Properties
Property Value Source Water Solubility 0.000584 mg/mL ALOGPS logP 4.17 ALOGPS logP 4.23 Chemaxon logS -5.7 ALOGPS pKa (Strongest Acidic) 17.35 Chemaxon pKa (Strongest Basic) 9.49 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 19.03 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 97.02 m3·mol-1 Chemaxon Polarizability 38.41 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon