BMRB

Biological Magnetic Resonance Data Bank


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

Loperamide Hydrochloride

Graphical representations:

Loperamide hydrochloride image

View large 3D structure

Molecular Formula: C29H33ClN2O2

Natural Isotopic Abundance Mass: 477.03752

Mono-Isotopic Molecular Masses:

  • C12N14: 476.223055986
  • C13N14: 505.320346288
  • C12N15: 478.217125772
  • C13N15: 507.314416074

InChI String: InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   3955
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   n/a

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