(±)-adrenaline

Ligand id: 509

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
Prodrug dipivefrine
IUPAC Name
4-(1-hydroxy-2-methylaminoethyl)benzene-1,2-diol
International Nonproprietary Names
INN number INN
4553 racepinefrine
Synonyms
adrenaline
epinephrine
Database Links
BindingDB Ligand 50019058
CAS Registry No. 329-65-7 (source: Scifinder)
ChEBI CHEBI:33568
ChEMBL Ligand CHEMBL1740
PubChem CID 838
Search Google for chemical match using the InChIKey UCTWMZQNUQWSLP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UCTWMZQNUQWSLP
Search PubMed clinical trials racepinefrine
Search PubMed titles racepinefrine
Search PubMed titles/abstracts racepinefrine
Wikipedia Epinephrine
Comments
The preparation of adrenaline/epinephrine assigned the INN racepinefrine is an racemic mixture of the enantiomers (+)-adrenaline and (-)-adrenaline. The structure shown here does not specify stereochemistry and represents the mixture.