BMRB

Biological Magnetic Resonance Data Bank


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

(-)-Isoproterenol Hydrochloride

(-)-Isoproterenol Hydrochloride bmse001209 - Data

(-)-Isoproterenol Hydrochloride synonyms

4-(1-Hydroxy-2-((1-methylethyl)amino)ethyl)-1,2-benzenediol; Euspiran; Hydrochloride, Isoproterenol; Isadrin; Isadrine; Isoprenaline; Isopropyl Noradrenaline; Isopropylarterenol; Isopropylnoradrenaline; Isopropylnorepinephrine; Isoproterenol

Wikipedia:

Graphical representations:

(-)-Isoproterenol hydrochloride image

View large 3D structure

Molecular Formula: C11H17NO3

Natural Isotopic Abundance Mass: 211.25758

Mono-Isotopic Molecular Masses:

  • C12N14: 211.120843409
  • C13N14: 222.157746627
  • C12N15: 212.117878302
  • C13N15: 223.15478152

InChI String: InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   3779
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   BMRB Ligand Expo 5FW

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