10-Methoxy-1,6-dimethyl-8-beta-(1-methyl-1,4-dihydro-3-pyridylcarbonyloxymethyl)ergoline

Base Information

• Chemical Name: 10-Methoxy-1,6-dimethyl-8-beta-(1-methyl-1,4-dihydro-3-pyridylcarbonyloxymethyl)ergoline
• CAS No.: 113678-79-8
• Molecular Formula: C25H31 N3 O3
• Molecular Weight: 421.5319
• DSSTox Substance ID: DTXSID30921158
• Wikidata: Q76280427
• Mol file: 113678-79-8.mol

Synonyms:10-Methoxy-1,6-dimethyl-8-beta-(1-methyl-1,4-dihydro-3-pyridylcarbonyloxymethyl)ergoline;113678-79-8;Ergoline-8-methanol, 1,6-dimethyl-10-methoxy-, 1,4-dihydro-1-methyl-3-pyridinecarboxylate (ester), (8-beta)-;SCHEMBL9649738;DTXSID30921158;LS-64446;(10-Methoxy-1,6-dimethylergolin-8-yl)methyl 1-methyl-1,4-dihydropyridine-3-carboxylate

Chemical Property of 10-Methoxy-1,6-dimethyl-8-beta-(1-methyl-1,4-dihydro-3-pyridylcarbonyloxymethyl)ergoline

Chemical Property:

• Vapor Pressure: 1.36E-13mmHg at 25°C
• Boiling Point: 583.3°Cat760mmHg
• Flash Point: 306.5°C
• Density: 1.25g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 421.23654186
• Heavy Atom Count: 31
• Complexity: 767

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CC(CC2(C1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CN(C=CC5)C
• Isomeric SMILES: CN1C[C@@H](C[C@]2([C@H]1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CN(C=CC5)C