(+)-adrenaline

Ligand id: 4450

Name: (+)-adrenaline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 4
Rotatable bonds 3
Topological polar surface area 72.72
Molecular weight 183.09
XLogP -0.07
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
4-[(1S)-1-hydroxy-2-methylaminoethyl]benzene-1,2-diol
International Nonproprietary Names
INN number INN
4553 racepinefrine
Synonyms
(S)-(+)-adrenaline
(S)-adrenaline
Database Links
CAS Registry No. 150-05-0 (source: Scifinder)
ChEBI CHEBI:40751
ChEMBL Ligand CHEMBL42280
PubChem CID 247704
RCSB PDB Ligand XDE
Search Google for chemical match using the InChIKey UCTWMZQNUQWSLP-SECBINFHSA-N
Search Google for chemicals with the same backbone UCTWMZQNUQWSLP
Search PubMed clinical trials racepinefrine
Search PubMed titles racepinefrine
Search PubMed titles/abstracts racepinefrine
Comments
One of the two enantiomers of adrenaline found in the INN-assigned preparation (±)-adrenaline (racepinefrine).