Ergoline-8-methanol, 1-(1,1-dimethylethyl)-10-methoxy-6-methyl-, 5-bromo-3-pyridinecarboxylate(ester), (8-beta)-

Base Information

• Chemical Name: Ergoline-8-methanol, 1-(1,1-dimethylethyl)-10-methoxy-6-methyl-, 5-bromo-3-pyridinecarboxylate(ester), (8-beta)-
• CAS No.: 113702-03-7
• Molecular Formula: C27H32 Br N3 O3
• Molecular Weight: 526.4653
• DSSTox Substance ID: DTXSID60150535
• Wikidata: Q76280436

Synonyms:1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(5-bromo-3-pyridinecarboxymethyl)ergoline;Ergoline-8-methanol, 1-(1,1-dimethylethyl)-10-methoxy-6-methyl-, 5-bromo-3-pyridinecarboxylate(ester), (8-beta)-;113702-03-7;C27H32BrN3O3;DTXSID60150535;C27-H32-Br-N3-O3;LS-64441

Chemical Property of Ergoline-8-methanol, 1-(1,1-dimethylethyl)-10-methoxy-6-methyl-, 5-bromo-3-pyridinecarboxylate(ester), (8-beta)-

Chemical Property:

• Vapor Pressure: 2.57E-15mmHg at 25°C
• Boiling Point: 620.4°C at 760 mmHg
• Flash Point: 329°C
• Density: 1.39g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 525.16270
• Heavy Atom Count: 34
• Complexity: 725

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1C=C2CC3C(CC(CN3C)COC(=O)C4=CC(=CN=C4)Br)(C5=C2C1=CC=C5)OC
• Isomeric SMILES: CCCCN1C=C2C[C@@H]3[C@](C[C@H](CN3C)COC(=O)C4=CC(=CN=C4)Br)(C5=C2C1=CC=C5)OC

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