(8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide

Base Information

• Chemical Name: (8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide
• CAS No.: 121550-30-9
• Molecular Formula: C20H22 N4 O3
• Molecular Weight: 366.4137
• DSSTox Substance ID: DTXSID40923860
• Mol file: 121550-30-9.mol

Synonyms:(8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide;1-((6-Methylergolin-8-beta-yl)methyl)-2,4(1H,3H)-dihydropyrimidinedione N6-oxide;2,4(1H,3H)-Pyrimidinedione, 1-((6-methylergolin-8-yl)methyl)-, N(sup 6)-oxide, (8-beta)-;121550-30-9;DTXSID40923860;LS-135394;4-Hydroxy-1-[(7-methyl-7-oxo-4,6,6a,7,8,9,10,10a-octahydro-7lambda~5~-indolo[4,3-fg]quinolin-9-yl)methyl]pyrimidin-2(1H)-one

Chemical Property of (8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 366.16919058
• Heavy Atom Count: 27
• Complexity: 682

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CC(CC2C1CC3=CNC4=CC=CC2=C34)CN5C=CC(=O)NC5=O)[O-]
• Isomeric SMILES: C[N+]1(C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CN5C=CC(=O)NC5=O)[O-]