(5R,8S,10R)-6-Methyl-8-((1H-1,2,4-triazol-1-yl)methyl)ergoline

Base Information

• Chemical Name: (5R,8S,10R)-6-Methyl-8-((1H-1,2,4-triazol-1-yl)methyl)ergoline
• CAS No.: 115178-30-8
• Molecular Formula: C₁₈H₂₁N₅
• Molecular Weight: 307.398
• Mol file: 115178-30-8.mol

Synonyms:6-Methyl-8-alpha-(1H-1,2-triazol-1-ylmethyl)ergoline;(5R,8S,10R)-6-Methyl-8-((1H-1,2,4-triazol-1-yl)methyl)ergoline;Ergoline, 6-methyl-8-(1H-1,2-triazol-1-ylmethyl)-, (8-alpha)-;115178-30-8

Chemical Property of (5R,8S,10R)-6-Methyl-8-((1H-1,2,4-triazol-1-yl)methyl)ergoline

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 307.17969569
• Heavy Atom Count: 23
• Complexity: 443

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CN5C=NC=N5
• Isomeric SMILES: CN1C[C@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CN5C=NC=N5