Cytisine-12-carboxymethyl ester

Base Information

• Chemical Name: Cytisine-12-carboxymethyl ester
• CAS No.: 125109-97-9
• Molecular Formula: C₁₃H₁₆N₂O₃
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID401113991
• Nikkaji Number: J505.967D
• Mol file: 125109-97-9.mol

Synonyms:125109-97-9;(1R,5S)-N-Methoxycarbonyl-1,2,3,4,5,6-hexahydro-1,5-methanopyrido-[1,2-a][1,5]diazocin-8-one (-)-2;Cytisine-12-carboxymethyl ester;DTXSID401113991;Methyl (1R,5R)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxylate

Chemical Property of Cytisine-12-carboxymethyl ester

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 248.11609238
• Heavy Atom Count: 18
• Complexity: 455

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)N1CC2CC(C1)C3=CC=CC(=O)N3C2
• Isomeric SMILES: COC(=O)N1C[C@@H]2C[C@H](C1)C3=CC=CC(=O)N3C2