Albuterol Sulfate
Basic information
- CAS
36519-31-0- Standard SMILES
CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.O=S(=O)(O)O- InChIKey
BNPSSFBOAGDEEL-UHFFFAOYSA-N- Molecular formula
- C26H44N2O10S
- Average molar mass
- 576.7 g/mol
- Monoisotopic mass
- 576.27166678
Overview
Albuterol sulfate is an ethanolamine sulfate salt. It is functionally related to an albuterol.
Names & identifiers
- Preferred name
- Albuterol Sulfate
- IUPAC
- bis(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol);sulfuric acid
- English name
- SALBUTAMOL HEMISULFATE
- Molecular formula
- C13H23NO7S
- Molecular weight
- 337.38922
Names & synonyms
ALBUTEROL SULFATEVenetlinLoftanVolmaxSalbutamol SulphateAccuNebProventil-HFAVentolin RotacapsSch 13949W sulfateProAirProair RespiclickVentolin HFA
Show more names
dl-salbutamolsulfate(+-)-ysulfate(2:1)(salt)
VoSpire ERSultanolVentilastinBuventolEcoventSalbumolAlbuterol SulphateProair HFA
Database identifiers
- CAS
36519-31-0、51022-70-9、67713-16-0- PubChem CID
- 39859
- DTXSID
DTXSID10881180- ChEMBL
CHEMBL1441059- ChEBI
CHEBI:2550- UNII
- 021SEF3731
- EC Number
- 690-790-9
Properties
Computed structural properties
- Topological polar surface area
- 228 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 309
Experimental & physicochemical properties
Human Drugs
Breast Feeding; Lactation; Milk, Human; Anti-Asthmatic Agents; Bronchodilator Agents; Beta Adrenergic Agonists
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Animal DrugsFDA approved animal drugs -> Active ingredient
Physicochemical properties
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
- WGK Germany
- 2 · 2
- RTECS
- 6430100 · CZ6430100
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
DOT Hazard Classification
Hexotonal
UN0393
Div 1.1 Explosives (with a mass explosion hazard) (49 eCFR § 173.50)
Hazard Classes and CategoriesNot Classified
DHS Chemicals of Interest (COI)
Torpex
A Commercial Grade
5000
A Commercial Grade
400
Explosive chemical that can be released at a facility.
Toxicology
Exposure RoutesSystemic absorption is rapid following aerosol administration.
Toxicity Summary
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.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Toxicity DataLD<sub>50</sub>=1100 mg/kg (orally in mice)
Regulatory information
DHS Chemicals of Interest (COI)
Torpex
A Commercial Grade
5000
A Commercial Grade
400
Explosive chemical that can be released at a facility.
Safety data
- wgk
- 2
- rtecs
- CZ6430100
- risk_code
- 43
- hazard_code
- Xi
- safety_code
- 36/37
Chemistry & industry
Pharmacology
Metabolism/Metabolites
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
FDA Pharmacological Classification
ALBUTEROL SULFATE
Adrenergic beta2-Agonists [MoA]; beta2-Adrenergic Agonist [EPC]
MeSH Pharmacological Classification
Agents that cause an increase in the expansion of a bronchus or bronchial tubes.
Drugs that prevent preterm labor and immature birth by suppressing uterine contractions (TOCOLYSIS). Agents used to delay premature uterine activity include magnesium sulfate, beta-mimetics, oxytocin antagonists, calcium channel inhibitors, and adrenergic beta-receptor agonists. The use of intravenous alcohol as a tocolytic is now obsolete.
Compounds bind to and activate ADRENERGIC BETA-2 RECEPTORS.
Uses & manufacturing
UsesFor symptomatic relief and prevention of bronchospasm due to bronchial asthma, chronic bronchitis, and other chronic bronchopulmonary disorders such as COPD.
Additional notes
DefinitionChEBI: Albuterol sulfate is an ethanolamine sulfate salt. It is functionally related to an albuterol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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