(±)-adrenaline

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Ligands
(±)-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

IUPAC Name

4-(1-hydroxy-2-methylaminoethyl)benzene-1,2-diol

International Nonproprietary Names
INN number	INN
4553	racepinefrine

Synonyms
adrenaline \| epinephrine

Synonyms

adrenaline | epinephrine

Database Links
BindingDB Ligand	50019058
CAS Registry No.	329-65-7 (source: Scifinder)
ChEBI	CHEBI:33568
ChEMBL Ligand	CHEMBL1740
GtoPdb PubChem SID	135651547
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
Search UniChem for chemical match using the InChIKey	UCTWMZQNUQWSLP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone	UCTWMZQNUQWSLP
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.

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.