BMRB

Biological Magnetic Resonance Data Bank


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

(-)-Norepinephrine

Graphical representations:

(-)-Norepinephrine image

Molecular Formula: C8 H11 N O3

Natural Isotopic Abundance Mass: 169.17784

Mono-Isotopic Molecular Masses:

  • C12N14: 169.0738932246
  • C13N14: 177.100731927
  • C12N15: 170.0709281178
  • C13N15: 178.0977668202

InCHi String: InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1

canonical SMILES: C1=CC(=C(C=C1C(CN)O)O)O

isomeric SMILES: C1=CC(=C(C=C1[C@H](CN)O)O)O

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

PUBCHEM iupac TRADITIONAL NAME
4-[(1R)-2-amino-1-hydroxy-ethyl]pyrocatechol

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
4-[(1R)-2-amino-1-hydroxy-ethyl]benzene-1,2-diol

PubChem Substance (SID):   85165196   36883508   46506201
PubChem Compound (CID):   439260
KEGG: Compound ID   D00076
CAS Registry IDs:   51-41-2
PDB Chemical Component   LNR   LT4
Miscellaneous Databases and IDs:   Sigma-Aldrich A7257_SIGMA   ChEBI CHEBI:18357   ChemBank Spectrum_001009   ChemSpider 388394   BIND 1830   EPA DSSTox 3378   NINDS Approved Drug Screening Program 01500436   DrugBank DB00368

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.