Compound Summary
PERGOLIDE MESYLATE
Compound Information
PERGOLIDE MESYLATE
Compound Name: | PERGOLIDE MESYLATE |
Compound CID: | 47812 |
Synonyms: | PERGOLIDE MESYLATE 66104-23-2 Pergolide Methanesulfonate PERGOLIDE MESYLATE SALT Pergolide (mesylate) More... |
Iupac Name: | (6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;methanesulfonic acid |
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 |
Canonical Smiles: | CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSC.CS(=O)(=O)O |
Isomeric Smiles: | CCCN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CSC.CS(=O)(=O)O |
Molecular Weight: | 410.6 |
Molecular Formula: | C20H30N2O3S2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
PERGOLIDE MESYLATE
Molecular Weight: | 410.6 |
Molecular Formula: | C20H30N2O3S2 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 27 |
Complexity: | 480 |
Synonyms
PERGOLIDE MESYLATE
| PERGOLIDE MESYLATE | PERGOLIDE MESYLATE |
|---|---|
PERGOLIDE MESYLATE |
66104-23-2 |
Pergolide Methanesulfonate |
PERGOLIDE MESYLATE SALT |
Pergolide (mesylate) |
Pergolide mesilate |
LY127809 |
UNII-55B9HQY616 |
MLS000069837 |
CHEBI:8021 |
55B9HQY616 |
LY-127809 |
MPE |
CPD000058504 |
SMR000058504 |
Permax (TN) |
DSSTox_CID_20583 |
DSSTox_RID_77029 |
DSSTox_GSID_40583 |
Celance |
Parkotil |
Pharken |
CHEMBL1275 |
SR-01000075395 |
NCGC00017366-04 |
Nopar |
Pergolide methanesulfonate salt |
(8b)-8-(methylsulfanyl)methyl-6-propylergoline methanesulfonate |
Pergolidemesylate |
SR-01000721840 |
Pergolide mesylate USAN:USP |
(6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo4,3-fgquinoline;methanesulfonic acid |
Prestwick_652 |
CAS-66104-23-2 |
pergolide monomesylate |
Opera_ID_186 |
Pergolide mehanesulfonate |
8-beta-((Methylthio)methyl)-6-propylergoline methanesulfonate |
8beta-((Methylthio)methyl)-6-propylergoline monomethanesulfonate |
8-beta-((Methylthio)methyl)-6-propylergoline monomethane sulfonate |
Pergolide mesilate (JAN) |
Pergolide mesylate (USP) |
pergolide monomethanesulfonate |
SCHEMBL26920 |
MLS001148155 |
MLS001424320 |
MLS002222236 |
SPECTRUM1503269 |
DTXSID6040583 |
HMS501G04 |
Ergoline, methanesulfonate (1:1) |
HMS1568L12 |
HMS1922O13 |
HMS2052H09 |
HMS2093C05 |
HMS2095L12 |
HMS2231F08 |
HMS3263E09 |
HMS3712L12 |
HMS3885K16 |
Pharmakon1600-01503269 |
8beta-(Methylthio)methyl-6-propylergoline methanesulfonate salt |
EX-A1334 |
LY-141-B |
Tox21_110820 |
Tox21_500984 |
CCG-39478 |
HY-13720A |
MFCD00153859 |
NSC319773 |
NSC758442 |
s4000 |
AKOS015896681 |
Ergoline, 8-((methylthio)methyl)-6-propyl-, monomethanesulfonate, (8beta)- |
Ergoline, 8-beta-((methylthio)methyl)-6-propyl-, methanesulfonate (1:1) |
Tox21_110820_1 |
AC-6874 |
LP00984 |
NC00428 |
NSC 319773 |
NSC 758442 |
NSC-319773 |
NSC-758442 |
NCGC00017366-08 |
NCGC00094284-01 |
NCGC00094284-02 |
NCGC00094284-03 |
NCGC00261669-01 |
Pergolide mesylate salt, >=98%, solid |
AS-76940 |
LY 127809 |
Ergoline, (8.beta.)-, monomethanesulfonate |
EU-0100984 |
D00502 |
D95035 |
P 8828 |
104P232 |
Q-201548 |
SR-01000075395-1 |
SR-01000075395-3 |
SR-01000721840-3 |
Q27107641 |
8-(Methylthio)methyl-6-propylergoline methanesulfonate |
(8beta)-8-(methylsulfanyl)methyl-6-propylergoline methanesulfonate |
8-.beta.-(Methylthio)methyl-6-propylergoline methanesulfonate |
Pergolide mesilate, European Pharmacopoeia (EP) Reference Standard |
(8beta)-8-(methylsulfanyl)methyl-6-propylergolin-6-ium methanesulfonate |
Pergolide mesylate, United States Pharmacopeia (USP) Reference Standard |
(6aR,9R,10aR)-9-((methylthio)methyl)-7-propyl-4,6,6a,7,8,9,10,10a-octahydroindolo4,3-fgquinoline methanesulfonate |
(6aR,9R,10aR)-9-(methylthiomethyl)-7-propyl-4,6,6a,7,8,9,10,10a-octahydroindolo4,3-fgquinoline methanesulfonate |
Experimental Data
PERGOLIDE MESYLATE
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 37.000000000000000 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 13.000000000000000 | umol/L | 37.000000000000000 | S | N2 | 24134630 | Active | ||||||
| Drosophila melanogaster | 20.000000000000000 | umol/L | 47.840000000000000 | 47.190000000000000 | -1.360000000000000 | NS | FEMALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 200.000000000000000 | umol/L | 43.130000000000000 | 43.480000000000000 | 0.810000000000000 | NS | MALES | 33008901 | Inactive |
Experimental Data Visualization
PERGOLIDE MESYLATE
Statistics Data
PERGOLIDE MESYLATE
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 37.000000000000000 | 2 | 2 | |
| Drosophila melanogaster | 0.810000000000000 | 1 | 2 |
Statistics Data Visualization
PERGOLIDE MESYLATE
