BMRB

Biological Magnetic Resonance Data Bank


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

Tropine

Graphical representations:

Tropine image

View large 3D structure

Molecular Formula: C8 H15 N O

Natural Isotopic Abundance Mass: 141.2108

Mono-Isotopic Molecular Masses:

  • C12N14: 141.1153641088
  • C13N14: 149.1422028112
  • C12N15: 142.112399002
  • C13N15: 150.1392377044

InChI String: InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8-

canonical and isomeric SMILES: CN1C2CCC1CC(C2)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
8-methyl-8-azabicyclo[3.2.1]octan-3-ol

PubChem Substance (SID):   144080975   134974889   10363712
PubChem Compound (CID):   8424
KEGG: Compound ID   C00729
CAS Registry IDs:   120-29-6   28390-68-3
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 120-29-6   MMCD cq_00493   Sigma-Aldrich 93550_FLUKA   ChemIDplus 0000120296   EINECS 204-384-2   NMRShiftDB 20142310   Beilstein Handbook Reference 5-21-01-00219   NIST Chemistry WebBook 2251687233   NIST 2251687233

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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