salbutamol   Click here for help

GtoPdb Ligand ID: 558

Synonyms: albuterol | SCH-13949W | Ventolin®
Approved drug Immunopharmacology Ligand
salbutamol is an approved drug (FDA (1981))
Compound class: Synthetic organic
Comment: The approved drug salbutamol is a racemic mixture of two enantiomers: levosalbutamol ((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).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 72.72
Molecular weight 239.15
XLogP 1.44
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCc1cc(ccc1O)C(CNC(C)(C)C)O
Isomeric SMILES OCc1cc(ccc1O)C(CNC(C)(C)C)O
InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
InChI Key NDAUXUAQIAJITI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1981))
WHO Essential Medicine WHO Essential Medicines List (EML) (22nd List, 2021). Access PDF version.
Click to view more information about the WHO Model Lists of Essential Medicines.
IUPAC Name Click here for help
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
International Nonproprietary Names Click here for help
INN number INN
2585 salbutamol
Synonyms Click here for help
albuterol | SCH-13949W | Ventolin®
Database Links Click here for help
BindingDB Ligand 25769
CAS Registry No. 18559-94-9
ChEBI CHEBI:2549
ChEMBL Ligand CHEMBL714
DrugBank Ligand DB01001
DrugCentral Ligand 105
GtoPdb PubChem SID 135650977
PubChem CID 2083
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Wikipedia Salbutamol