Salbutamol (CED0001795)

Record Information

Version

1.0

Creation Date

2014-09-11 05:14:00 UTC

Update Date

2026-08-19 02:29:15 UTC

Accession Number

CHEM003692

Identification

Common Name

Salbutamol

Class

Small Molecule

Description

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).

Contaminant Type

Adrenergic beta-2 Receptor Agonist
Amine
Bronchodilator Agent
Drug
Food Toxin
Organic Compound
Synthetic Compound
Tocolytic Agent

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Proventil	ChEBI
(L)-Albuterol	HMDB
1-(Tert-butylaminomethyl)-4-hydroxy-m-xylene-alpha1,alpha3-diol	HMDB
2-(Tert-butylamino)-1-(4-hydroxy-3-hydroxymethylphenyl)ethanol	HMDB
4-Hydroxy-3-hydroxymethyl-alpha-((tert-butylamino)methyl)benzyl alcohol	HMDB
Aerolin	HMDB
Albuterol	HMDB
Almotex	HMDB
Alpha'-((tert-butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha'-diol	HMDB
Alti-salbutamol	HMDB
Anebron	HMDB
Arubendol-salbutamol	HMDB
Asmadil	HMDB
Asmanil	HMDB
Asmasal	HMDB
Asmatol	HMDB
Asmaven	HMDB
Asmidon	HMDB
Asmol	HMDB
Asmol uni-dose	HMDB
Asthalin	HMDB
Broncho-spray	HMDB
Broncovaleas	HMDB
Bronter	HMDB
Bugonol	HMDB
Bumol	HMDB
Butamol	HMDB
Buto-asma	HMDB
Butohaler	HMDB
Butotal	HMDB
Butovent	HMDB
Buventol	HMDB
Cobutolin	HMDB
Dilatamol	HMDB
DL-Albuterol	HMDB
DL-N-Tert-butyl-2-(4-hydroxy-3-hydroxymethylphenyl)-2-hydroxyethylamine	HMDB
DL-Salbutamol	HMDB
Farcolin	HMDB
Gerivent	HMDB
Grafalin	HMDB
Levalbuterol	HMDB
Libretin	HMDB
Medolin	HMDB
Mozal	HMDB
Novosalmol	HMDB
Parasma	HMDB
Pneumolat	HMDB
Proventil hfa	HMDB
Proventil inhaler	HMDB
R-Salbutamol	HMDB
Respax	HMDB
Respolin	HMDB
Sabutal	HMDB
Salamol	HMDB
Salbetol	HMDB
Salbron	HMDB
Salbu-basf	HMDB
Salbu-fatol	HMDB
Salbuhexal	HMDB
Salbulin	HMDB
Salbupur	HMDB
Salbusian	HMDB
Salbutalan	HMDB
Salbutamol free base	HMDB
Salbutamol sulfate	HMDB
Salbutamol sulphate	HMDB
Salbutamolum	HMDB
Salbutan	HMDB
Salbutol	HMDB
Salbuven	HMDB
Salbuvent	HMDB
Sallbupp	HMDB
Salmaplon	HMDB
Salomol	HMDB
Salvent	HMDB
Saventol	HMDB
Servitamol	HMDB
Spreor	HMDB
Sultanol	HMDB
Sultanol N	HMDB
Suprasma	HMDB
Suxar	HMDB
Theosal	HMDB
Tobybron	HMDB
Vencronyl	HMDB
Ventamol	HMDB
Ventilan	HMDB
Ventiloboi	HMDB
Ventodisks	HMDB
Ventolin	HMDB
Ventolin inhaler	HMDB
Ventolin rotacaps	HMDB
Ventoline	HMDB
Volare albuterol hfa	HMDB
Volare easi-breathe	HMDB
Volmax	HMDB
Zaperin	HMDB
2-t-Butylamino-1-(4-hydroxy-3-hydroxy-3-hydroxymethyl)phenylethanol	HMDB
Albuterol sulfate	HMDB

Chemical Formula

C₁₃H₂₁NO₃

Average Molecular Mass

239.311 g/mol

Monoisotopic Mass

239.152 g/mol

CAS Registry Number

18559-94-9

IUPAC Name

4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol

Traditional Name

salbutamol

SMILES

CC(C)(C)NCC(O)C1=CC(CO)=C(O)C=C1

InChI Identifier

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

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzyl alcohols

Direct Parent

Benzyl alcohols

Alternative Parents

Substituents

Benzyl alcohol
Phenol
Aralkylamine
1-hydroxy-2-unsubstituted benzenoid
Secondary alcohol
1,2-aminoalcohol
Secondary amine
Secondary aliphatic amine
Hydrocarbon derivative
Alcohol
Aromatic alcohol
Primary alcohol
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Organopnictogen compound
Organic oxygen compound
Amine
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

phenylethanolamines (CHEBI:2549 )
phenols (CHEBI:2549 )
secondary amino compound (CHEBI:2549 )

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Cytoplasm
Extracellular

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Solid

Appearance

White powder.

Experimental Properties

Property	Value
Melting Point	147-149°C
Boiling Point	Not Available
Solubility	1.41E+004 mg/L

Predicted Properties

Property	Value	Source
Water Solubility	2.15 g/L	ALOGPS
logP	0.44	ALOGPS
logP	0.34	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	10.12	ChemAxon
pKa (Strongest Basic)	9.4	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	72.72 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	67.87 m³·mol⁻¹	ChemAxon
Polarizability	26.86 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0ff9-9710000000-a986fa7cee66bc21b185	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0535-4494200000-4d44fc69fd47c8bde941	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-002b-0900000000-1c9889f5fc33443c7b3b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-0090000000-afe3df5bdead805eacaf	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0090000000-1d8b235dd1e02960dba1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00dr-0090000000-6fee6c25dfbf9c3a7c13	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0290000000-0d38029df88ee8018d9a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00kf-0950000000-9572451e9f596ae94494	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0006-0900000000-05c59c5c9d63de269feb	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0090000000-8ef6b84074e243e637bd	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00dr-0090000000-e288fafc6755fa4abcba	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0290000000-5569e08c145733118852	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0296-0940000000-f3558c829fecc8fea6f0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0006-0900000000-9b7ad78396782fd2237d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-0090000000-19973e6238f364b40ec6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00dl-0190000000-bec72774da692a955281	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-9d1b7a0e974ab4c5c2cf	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-0090000000-98cef35812448be3e2db	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-006x-0090000000-182d7b602151e8ac7849	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-006t-0950000000-935c99cfc4690ce298f1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-064806e46a30b7dd760b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-6acca58ec4a7b6892bb1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-007k-1900000000-6b18a64209aa89c42af0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00ec-4900000000-70c609482357e411ae42	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-006x-0090000000-127c8a78dd75e131e46a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-006t-0950000000-a3cef97d0495f36363a5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-af9a8ad8ae6e7ade3b9b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-c95568abe549433d67e8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-007k-1900000000-06178e64d95e7221bccb	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00ec-4900000000-339502da9d74d89569f0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-0090000000-039f3f4bbefe1a1588d8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-006x-0190000000-99e78b87fa74322fae1d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-637588735361fe2a9ad0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-007k-1900000000-b19c47ea3e07181932ab	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-009x-7900000000-6091051edb1a5c40218e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-002f-9400000000-ff279a7ba0390c8a14df	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00r2-0930000000-00b798f29eb25b7a4565	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-0090000000-afe3df5bdead805eacaf	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-2ff7ab8d9aa060bb0af8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0296-0940000000-f3558c829fecc8fea6f0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0006-0900000000-9b7ad78396782fd2237d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-007k-1900000000-5b40404fc010a61fd628	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-0090000000-19973e6238f364b40ec6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0090000000-8ef6b84074e243e637bd	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0290000000-5569e08c145733118852	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-006t-0960000000-8794fe82fdbe2a889759	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-006x-0090000000-182d7b602151e8ac7849	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-002f-9400000000-ff279a7ba0390c8a14df	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0006-0900000000-05c59c5c9d63de269feb	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00dr-0090000000-e288fafc6755fa4abcba	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0090000000-1d8b235dd1e02960dba1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-909660c0fb763a64f109	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-0090000000-68d4c2bd4eaa96135d6d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00ec-4900000000-70c609482357e411ae42	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-006x-0090000000-82a727fc03df631e87fb	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-0090000000-c0884fab7a276c4bb3e4	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00dr-0090000000-6fee6c25dfbf9c3a7c13	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00ec-4900000000-339502da9d74d89569f0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-e7cef4d151f6f44b85e7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00kf-0950000000-9572451e9f596ae94494	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-c325d04c9be2ac292d56	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00dl-0190000000-2442cfb4c4453c820385	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-007k-1900000000-1472e63622e123a43e2b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-006t-0960000000-c7ac045b403c185339eb	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0290000000-0d38029df88ee8018d9a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-007k-1900000000-304c9c08265fb710f7e2	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-ae306290f2e748a54d75	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-006x-0190000000-99e78b87fa74322fae1d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00dl-0190000000-bec72774da692a955281	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-637588735361fe2a9ad0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-007k-1900000000-b19c47ea3e07181932ab	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-01b9-0290000000-86d5eb86351957631c6f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-8fd4fff519f752afdf6f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-009x-7900000000-6091051edb1a5c40218e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-009x-7900000000-8337f9d0036fb37d44dd	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-002f-9400000000-0e071688f9ad812e5bc5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0190000000-63e55815a4526e7feb52	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0g4j-1890000000-a1d656ba6a83af80a632	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0avj-4910000000-dbdf8585f040436bd841	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0079-1190000000-2bd296e3b89e66c9df27	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00dr-4690000000-2cc3920d36cafabbfe05	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-9800000000-f42f6ecf60fdf4f504ff	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0090000000-a1214ba4a7fce6faa4ba	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0390000000-1e4986d0b6c6a98eb239	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-2900000000-f5ae14ee88f3c0a0d088	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-1940000000-65c12b792d195ae7fef3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0900000000-75251a613ccb0a06da2f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9610000000-50e83514cebd24e83c8a	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

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)

Carcinogenicity (IARC Classification)

No indication of carcinogenicity to humans (not listed by IARC).

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
839.0	Log mg/kg	[470:1500]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
10	Insecticides	Agriculture & land management	Not Available
391	Drugs for obstructive airway diseases	Healthcare, pharmaceuticals & veterinary products	Not Available
500	Stairs And Ramps	Building & Construction	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
511	Conductors Or Conductive Bodies Characterised By The Conductive Materials	Electrical & Electronic Equipment	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
518	Electrically Stimulated Smoking Devices	Electrical & Electronic Equipment	Not Available
519	Electrodes	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
524	Hybrid Capacitors	Electrical & Electronic Equipment	Not Available
525	Line Transmission Systems	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
531	Relays	Electrical & Electronic Equipment	Not Available
535	Superconducting Magnets And Superconducting Coils	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
545	Food Preservation	Food, food processing & cookware	Not Available
549	Preparation Of Wine Or Sparkling Wine	Food, food processing & cookware	Not Available
555	Bleaching Agents	Household cleaning & consumer products	Not Available
556	Cigar Cigarettes	Household cleaning & consumer products	Not Available
559	Non Electric Simulated Smoking Devices	Household cleaning & consumer products	Not Available
560	Other Smoking Requisites	Household cleaning & consumer products	Not Available
561	Perfumes Within Detergents And Soaps	Household cleaning & consumer products	Not Available
562	Pipe Accessories	Household cleaning & consumer products	Not Available
563	Soap Detergents	Household cleaning & consumer products	Not Available
566	Tobacco Pipes	Household cleaning & consumer products	Not Available
569	Tobacco Smoke Filters	Household cleaning & consumer products	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
580	Manufacture Preparation Of Tobacco Products	Industrial manufacturing & chemical processing	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
584	Buoys	Marine, shipping & aquaculture	Not Available
592	Marine Propulsion Or Steering	Marine, shipping & aquaculture	Not Available
598	Fertiliser Distributors	Agriculture & land management	Not Available
600	Herbicides And Algicides	Agriculture & land management	Not Available
602	Molluscicides	Agriculture & land management	Not Available
606	Plant Growth Regulators	Agriculture & land management	Not Available
610	Aftersun Products	Personal care & cosmetics	Not Available
611	Anti Perspirants Or Body Deoderants	Personal care & cosmetics	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
614	Essential Oils Or Perfumes	Personal care & cosmetics	Not Available
615	Eye Makeup Products	Personal care & cosmetics	Not Available
616	Face Mask Cosmetics	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
618	Lip Makeup Products	Personal care & cosmetics	Not Available
630	Toys	Recreation & sports surfaces	Not Available
632	Apparel	Textiles, leather & furnishings	Not Available
642	Footwear	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
651	Purses Money Bags Wallets	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	Not Available

Pathways

3 pathways

Salbutamol Action Pathway

Salbutamol Drug Metabolism Action Pathway

Salbutamol Predicted Metabolism Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	1.47914
Click to view 3D structure	Beta-2 adrenergic receptor	Q8K4Z4	Cavia porcellus	Predicted (SEA)	0.856341
Click to view 3D structure	Beta-1 adrenergic receptor	P08588	Humans	Predicted (SEA)	2.49118
Click to view 3D structure	Beta-2 adrenergic receptor	Q28044	Bos taurus	Predicted (SEA)	0.0778492
Click to view 3D structure	Taste receptor type 2 member 50	P59544	Humans	Predicted (SEA)	0.700643
Click to view 3D structure	Taste receptor type 2 member 45	P59539	Humans	Predicted (SEA)	0.700643
Click to view 3D structure	Taste receptor type 2 member 42	Q7RTR8	Humans	Predicted (SEA)	0.700643
Click to view 3D structure	Taste receptor type 2 member 41	P59536	Humans	Predicted (SEA)	0.700643
Click to view 3D structure	Taste receptor type 2 member 7	Q9NYW3	Humans	Predicted (SEA)	0.700643
Click to view 3D structure	Taste receptor type 2 member 30	P59541	Humans	Predicted (SEA)	0.700643
Click to view 3D structure	Taste receptor type 2 member 60	P59551	Humans	Predicted (SEA)	0.700643
Click to view 3D structure	Taste receptor type 2 member 19	P59542	Humans	Predicted (SEA)	0.700643
Click to view 3D structure	Taste receptor type 2 member 20	P59543	Humans	Predicted (SEA)	0.700643
Click to view 3D structure	Taste receptor type 2 member 1	Q9NYW7	Humans	Predicted (SEA)	0.700643
Click to view 3D structure	Taste receptor type 2 member 40	P59535	Humans	Predicted (SEA)	0.700643
Click to view 3D structure	Taste receptor type 2 member 3	Q9NYW6	Humans	Predicted (SEA)	0.700643
Click to view 3D structure	Taste receptor type 2 member 13	Q9NYV9	Humans	Predicted (SEA)	0.700643
Click to view 3D structure	Taste receptor type 2 member 39	P59534	Humans	Predicted (SEA)	0.700643
Click to view 3D structure	Taste receptor type 2 member 5	Q9NYW4	Humans	Predicted (SEA)	0.700643
Click to view 3D structure	Taste receptor type 2 member 9	Q9NYW1	Humans	Predicted (SEA)	0.700643
Click to view 3D structure	Taste receptor type 2 member 43	P59537	Humans	Predicted (SEA)	0.700643
Click to view 3D structure	Beta-1 adrenergic receptor	B0FL73	Cavia porcellus	Predicted (SEA)	2.95827
Click to view 3D structure	Beta-3 adrenergic receptor	P13945	Humans	Predicted (SEA)	7.47353
Click to view 3D structure	Beta-1 adrenergic receptor	P18090	Rattus norvegicus	Predicted (SEA)	3.03612
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	51.1469
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Known	Not Available
Click to view 3D structure	Beta-1 adrenergic receptor	P08588	Humans	Known	Not Available

Concentrations

Not Available

External Links

DrugBank ID

DB01001

HMDB ID

HMDB0001937

FooDB ID

FDB022752

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

799

PDB ID

Not Available

Wikipedia Link

Chemspider ID

ChEBI ID

PubChem Compound ID

Kegg Compound ID

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Toshikuni Kawazi, Masahiro Ono, Nobuko Inoue, “Salbutamol-containing plaster and method of producing same.” U.S. Patent US5068103, issued February, 1984.

MSDS

Not Available

General References

1. https://www.ncbi.nlm.nih.gov/pubmed/?term=8267204

2. https://www.ncbi.nlm.nih.gov/pubmed/?term=9847435

3. Fayon M, Dumas De La Roque E, Berger P, Begueret H, Ousova O, Molimard M, Marthan R: Increased relaxation of immature airways to beta2-adrenoceptor agonists is related to attenuated expression of postjunctional smooth muscle muscarinic M2 receptors. J Appl Physiol (1985). 2005 Apr;98(4):1526-33. Epub 2004 Dec 3.

4. Yoshihara S, Yamada Y, Abe T, Kashimoto K, Linden A, Arisaka O: Long-lasting smooth-muscle relaxation by a novel PACAP analogue in human bronchi. Regul Pept. 2004 Dec 15;123(1-3):161-5.

Salbutamol (CED0001795)

Structure for CHEM003692: Salbutamol

Structure