1.0 2014-09-11 05:14:00 UTC 2026-08-19 02:29:15 UTC T3D4735 Salbutamol SmallMolecule Salbutamol is an exogenous organic compound with the formula C13H21NO3 and an average molecular weight of 239.31 g/mol. It exists as a solid at room temperature. Salbutamol belongs to the benzyl alcohols, a subclass of benzene and substituted derivatives within the organic compounds. This compound is used as a drug for obstructive airway diseases. It targets the Beta-1 adrenergic receptor (ADRB1), Beta-2 adrenergic receptor (ADRB2), and Beta-3 adrenergic receptor (ADRB3). Recorded exposure routes include oral, nasal, respiratory, sublingual, intravenous, intramuscular, subcutaneous, intrabronchial, and occlusive dressing technique. Salbutamol has been found in or released from 27 recorded sources. These include healthcare, pharmaceuticals & veterinary products; building & construction (stairs and ramps); food, food processing & cookware (food preservation and the preparation of wine or sparkling wine); household cleaning & consumer products (bleaching agents, cigar cigarettes, non electric simulated smoking devices, other smoking requisites, and perfumes within detergents and soaps, among 4 others); and electrical & electronic equipment (amplifiers, antennas, conductors or conductive bodies characterised by the conductive materials, electric hearing aids, electric switches, and 9 others). Drug Food Toxin Synthetic Toxin Organic Compound Amine Drug Food Toxin Tocolytic Agent Bronchodilator Agent Synthetic Compound Adrenergic beta-2 Receptor Agonist AccuNeb Aerolin Airomir Albuterol albuterol Asmol Asthalin Asthavent Levalbuterol ProAir PROAIRHFA Proventil Salamol Ventilan Ventolin Ventoline VENTOLINHFA Ventorlin VoSpire Xopenex C13H21NO3 239.3107 239.152143543 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol salbutamol 18559-94-9 CC(C)(C)NCC(O)C1=CC(CO)=C(O)C=C1 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 NDAUXUAQIAJITI-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzyl alcohols Benzyl alcohols 1,2-aminoalcohols 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Aromatic alcohols Dialkylamines Hydrocarbon derivatives Organopnictogen compounds Primary alcohols Secondary alcohols 1,2-aminoalcohol 1-hydroxy-2-unsubstituted benzenoid Alcohol Amine Aralkylamine Aromatic alcohol Aromatic homomonocyclic compound Benzyl alcohol Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Primary alcohol Secondary alcohol Secondary aliphatic amine Secondary amine Aromatic homomonocyclic compounds phenols phenylethanolamines secondary amino compound Detected and Not Quantified Exogenous Cytoplasm Extracellular Salbutamol Action Pathway SMP0126574 Salbutamol Drug Metabolism Action Pathway SMP0143431 Salbutamol Predicted Metabolism Pathway SMP0174615 Solid White powder. melting_point 147-149°C solubility 1.41E+004 mg/L logp 1.4 logp 0.44 ALOGPS logs -2.05 ALOGPS solubility 2.15e+00 g/l ALOGPS logp 0.34 ChemAxon pka_strongest_acidic 10.12 ChemAxon pka_strongest_basic 9.4 ChemAxon iupac 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol ChemAxon average_mass 239.3107 ChemAxon mono_mass 239.152143543 ChemAxon smiles CC(C)(C)NCC(O)C1=CC(CO)=C(O)C=C1 ChemAxon formula C13H21NO3 ChemAxon 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 ChemAxon inchikey NDAUXUAQIAJITI-UHFFFAOYSA-N ChemAxon polar_surface_area 72.72 ChemAxon refractivity 67.87 ChemAxon polarizability 26.86 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Systemic absorption is rapid following aerosol administration. Salbutamol is a beta(2)-adrenergic agonist and thus it stimulates beta(2)-adrenergic receptors. Binding of albuterol to beta(2)-receptors in the lungs results in relaxation of bronchial smooth muscles. It is believed that salbutamol increases cAMP production by activating adenylate cyclase, and the actions of salbutamol are mediated by cAMP. Increased intracellular cyclic AMP increases the activity of cAMP-dependent protein kinase A, which inhibits the phosphorylation of myosin and lowers intracellular calcium concentrations. A lowered intracellular calcium concentration leads to a smooth muscle relaxation and bronchodilation. In addition to bronchodilation, salbutamol inhibits the release of bronchoconstricting agents from mast cells, inhibits microvascular leakage, and enhances mucociliary clearance. LD₅₀=1100 mg/kg (orally in mice) Hydrolyzed by esterases in tissue and blood to the active compound colterol. The drug is also conjugatively metabolized to salbutamol 4'-O-sulfate. Route of Elimination: Approximately 72% of the inhaled dose is excreted in the urine within 24 hours, 28% as unchanged drug and 44% as metabolite. Half Life: 1.6 hours LD₅₀=1100 mg/kg (orally in mice) No indication of carcinogenicity to humans (not listed by IARC). For symptomatic relief and prevention of bronchospasm due to bronchial asthma, chronic bronchitis, and other chronic bronchopulmonary disorders such as COPD. #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7265063860> DB01001 2083 CHEMBL714 1999 2549 Salbutamol BE0000694 BE0000172 BE0001012