(8beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline

Base Information

• Chemical Name: (8beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline
• CAS No.: 129134-95-8
• Molecular Formula: C22H23 Cl N2 O2 S
• Molecular Weight: 414.98
• DSSTox Substance ID: DTXSID50926302

Synonyms:1-(p-Chlorobenzenesulfonyl)festuclavine;1-(4-Chlorobenzenesulfonyl)festuclavine;(8beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline;(8-beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline;Ergoline, 1-((4-chlorophenyl)sulfonyl)-6,8-dimethyl-, (8beta)-;Ergoline, 1-((4-chlorophenyl)sulfonyl)-6,8-dimethyl-, (8-beta)-;129134-95-8;C22H23ClN2O2S;DTXSID50926302;C22-H23-Cl-N2-O2-S;LS-64399;1-(4-Chlorobenzene-1-sulfonyl)-6,8-dimethylergoline

Chemical Property of (8beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline

Chemical Property:

• Vapor Pressure: 5.17E-14mmHg at 25°C
• Boiling Point: 592.6°Cat760mmHg
• Flash Point: 312.2°C
• Density: 1.41g/cm³
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 414.1168768
• Heavy Atom Count: 28
• Complexity: 687

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C(CC3=CN(C4=CC=CC2=C34)S(=O)(=O)C5=CC=C(C=C5)Cl)N(C1)C
• Isomeric SMILES: C[C@@H]1CC2[C@@H](CC3=CN(C4=CC=CC2=C34)S(=O)(=O)C5=CC=C(C=C5)Cl)N(C1)C

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