loading...| Preferred Name |
Pergolide |
|
| Synonyms |
(8beta)-8-[(methylsulfanyl)methyl]-6-propylergoline pergolida pergolide pergolidum |
|
| Definitions |
A diamine that is ergoline in which the beta-hydrogen at position 8 is replaced by a (methylthio)methyl group and the hydrogen attached to the piperidine nitrogen (position 6) is replaced by a propyl group. A dopamine D2 receptor agonist which also has D1 and D2 agonist properties, it is used as the mesylate salt in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_63617 |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:D08339 LINCS:LSM-3352 Wikipedia:Pergolide KEGG:C07425 DrugBank:DB01186 PMID:11852289 Patent:US4166182 Reaxys:5091461 PMID:16845152 Drug_Central:2105 PMID:2012117 CAS:66104-22-1 PMID:15180134 PMID:18071034 HMDB:HMDB0015317 |
|
| definition |
A diamine that is ergoline in which the beta-hydrogen at position 8 is replaced by a (methylthio)methyl group and the hydrogen attached to the piperidine nitrogen (position 6) is replaced by a propyl group. A dopamine D2 receptor agonist which also has D1 and D2 agonist properties, it is used as the mesylate salt in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction. |
|
| formula |
C19H26N2S |
|
| has role | ||
| has_alternative_id |
CHEBI:8020 |
|
| has_exact_synonym |
(8beta)-8-[(methylsulfanyl)methyl]-6-propylergoline |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
pergolida pergolide pergolidum |
|
| has_RxCUI |
8047 |
|
| id |
CHEBI:63617 |
|
| in_subset | ||
| inchi |
InChI=1S/C19H26N2S/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/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1 |
|
| inchikey |
YEHCICAEULNIGD-MZMPZRCHSA-N |
|
| is conjugate base of | ||
| label |
Pergolide pergolide |
|
| mass |
314.48800 |
|
| monoisotopicmass |
314.18167 |
|
| notation |
CHEBI:63617 |
|
| prefLabel |
Pergolide |
|
| smiles |
[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CSC)CN2CCC |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_86315 |