N-Despropyl Pergolide

Base Information

• Chemical Name: N-Despropyl Pergolide
• CAS No.: 72821-91-1
• Molecular Formula: C16H19N2S
• Molecular Weight: 271.40046
• DSSTox Substance ID: DTXSID20433492
• Nikkaji Number: J528.415E
• Wikidata: Q82247652
• Mol file: 72821-91-1.mol

Synonyms:N-Despropyl Pergolide;72821-91-1;(6aR,9R,10aR)-9-(methylsulfanylmethyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;DTXSID20433492;8beta-[(Methylthio)methyl]ergoline;AKOS030240856;(2R,4R,7R)-4-[(methylsulfanyl)methyl]-6,11-diazatetracyclo[7.6.1.0?,?.0??,??]hexadeca-1(15),9,12(16),13-tetraene

Chemical Property of N-Despropyl Pergolide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 182-184°C
• Boiling Point: 486.528°C at 760 mmHg
• Flash Point: 248.043°C
• PSA: 53.12000
• Density: 1.182g/cm³
• LogP: 3.47750
• Storage Temp.: -20°C Freezer
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 272.13471982
• Heavy Atom Count: 19
• Complexity: 335

Purity/Quality:

95% ^*data from raw suppliers

N-Despropyl Pergolide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCC1CC2C(CC3=CNC4=CC=CC2=C34)NC1
• Isomeric SMILES: CSC[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)NC1
• Uses: A metabolite of Pergolide, a dopaminergic agonist that also decrease plasma prolactin concentrations. An antiparkinsonian agent