pergolide mesylate (CHEBI:8021)

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CHEBI:8021 - pergolide mesylate

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ChEBI ID	CHEBI:8021
ChEBI Name	pergolide mesylate
Stars
Definition	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which also has D₁ and D₂ agonist properties, it is used in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction.
Last Modified	27 October 2021
Downloads	Molfile

Formula	C19H26N2S.CH4O3S
Net Charge	0
Average Mass	410.605
Monoisotopic Mass	410.16978
SMILES	CS(=O)(=O)O.[H][C@@]12Cc3cnc4cccc(c34)[C@@]1([H])C[C@@H](CSC)CN2CCC
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
InChIKey	UWCVGPLTGZWHGS-ZORIOUSZSA-N

Roles Classification

Biological Role:	dopamine agonist A drug that binds to and activates dopamine receptors.
Applications:	dopamine agonist A drug that binds to and activates dopamine receptors. geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. antiparkinson drug A drug used in the treatment of Parkinson's disease.

ChEBI Ontology

Outgoing Relation(s)
	pergolide mesylate (CHEBI:8021) has part pergolide(1+) (CHEBI:63706)
	pergolide mesylate (CHEBI:8021) has role antiparkinson drug (CHEBI:48407)
	pergolide mesylate (CHEBI:8021) has role dopamine agonist (CHEBI:51065)
	pergolide mesylate (CHEBI:8021) has role geroprotector (CHEBI:176497)
	pergolide mesylate (CHEBI:8021) is a methanesulfonate salt (CHEBI:38037)

IUPAC Name
(8β)-8-[(methylsulfanyl)methyl]-6-propylergoline methanesulfonate

Synonyms	Source
(8β)-8-[(methylsulfanyl)methyl]-6-propylergolin-6-ium methanesulfonate	IUPAC
Pergolide mesilate	KEGG DRUG
pergolide monomethanesulfonate	ChEBI
pergolide methanesulfonate	ChEBI
pergolide monomesylate	ChEBI

Brand Name	Source
Permax	KEGG DRUG

Manual Xrefs	Databases
D00502	KEGG DRUG
DBSALT002445	DrugBank
43504	ChemSpider

Registry Numbers	Sources
Reaxys:5698117	Reaxys
CAS:66104-23-2	KEGG DRUG
CAS:66104-23-2	ChemIDplus

Citations