salbutamol

Ligand id: 558

Name: salbutamol

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 72.72
Molecular weight 239.15
XLogP 1.17
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1981))
IUPAC Name
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
International Nonproprietary Names
INN number INN
2585 salbutamol
Synonyms
albuterol | SCH-13949W | Ventolin®
Database Links
BindingDB Ligand 25769
CAS Registry No. 18559-94-9
ChEBI CHEBI:2549
ChEMBL Ligand CHEMBL714
DrugBank Ligand DB01001
PubChem CID 2083
Search Google for chemical match using the InChIKey NDAUXUAQIAJITI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NDAUXUAQIAJITI
Search PubMed clinical trials salbutamol
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Search UniChem for chemical match using the InChIKey NDAUXUAQIAJITI-UHFFFAOYSA-N
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Wikipedia Salbutamol
Comments
The approved drug salbutamol is a racemic mixture of two enantiomers: (R)-salbutamol and (S)-salbutamol. The structure shown here does not specify stereochemistry and represents the mixture. The US FDA approved this drug with the name albuterol.
Marketed formulations may contain salbutamol sulfate (PubChem CID 9884233).
Salbutamol is termed a 'short-acting beta-agonist' (SABA).