BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

Arecoline Hydrobromide

Arecoline Hydrobromide bmse001225 - Data

Arecoline Hydrobromide synonyms

Wikipedia:

Graphical representations:

Arecoline

View large 3D structure

Molecular Formula: C8H13NO2

Natural Isotopic Abundance Mass: 155.19432

Mono-Isotopic Molecular Masses:

  • C12N14: 155.094628661
  • C13N14: 163.121467365
  • C12N15: 156.091663554
  • C13N15: 164.118502258

InChI string: InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3

IUPAC: methyl 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylate

PubChem Compound (CID): 2230
NSC:

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)