Albuterol Sulfate

Base Information

• Chemical Name: Albuterol Sulfate
• CAS No.: 51022-70-9
• Deprecated CAS: 36519-31-0
• Molecular Formula: 2C₁₃H₂₁NO₃*H₂O₄S
• Molecular Weight: 576.709
• Hs Code.: 29225090
• UNII: 021SEF3731
• DSSTox Substance ID: DTXSID10881180
• Wikidata: Q27231480
• NCI Thesaurus Code: C47957
• RXCUI: 142153
• ChEMBL ID: CHEMBL1441059
• Mol file: 51022-70-9.mol

Synonyms:2-t-Butylamino-1-(4-hydroxy-3-hydroxy-3-hydroxymethyl)phenylethanol;Albuterol;Albuterol Sulfate;Proventil;Salbutamol;Sultanol;Ventolin

Chemical Property of Albuterol Sulfate

Chemical Property:

• Appearance/Colour: white crystalline solid
• Vapor Pressure: 8.92E-08mmHg at 25°C
• Melting Point: 180 °C
• Boiling Point: 433.5 °C at 760 mmHg
• Flash Point: 159.5 °C
• PSA: 155.70000
• LogP: 2.12490
• Storage Temp.: Store at RT
• Solubility.: 1 M NaOH: soluble50 mg/ml, clear to slightly hazy, yellow-green
• Water Solubility.: Soluble in water and 1M sodium hydroxide (50 mg/ml).
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 576.27166678
• Heavy Atom Count: 39
• Complexity: 309

Purity/Quality:

99%, ^*data from raw suppliers

Albuterol Sulfate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 43-22
• Safety Statements: 36/37-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O
• Description: Albuterol sulfate (Brand name: PROVENTIL? HFA) is the sulfate form of albuterol which is also known as salbutamol. It is a kind of short-acting, selective beta2-adrenergic receptor agonist being capable of opening up the medium and large airways in the lungs. It is mainly used for the treatment of bronchospasm (induced by bronchial asthma or exercise) as well as chronic obstructive pulmonary disease (COPD). Albuterol sulfate takes effects through directly biding to the beta (2)-adrenergic receptors in the lung and causing relaxation of bronchial smooth muscles. This relaxation is mediated by its effect of stimulating cAMP production through activating adenylate cyclase, further inhibiting the phosphorylation of myosin and lowering the intracellular calcium level. Albuterol sulfate can also be used to treat acute hyperkalemia of the blood.
• Uses: Albuterol Sulfate belongs to a class of bronchodilator drugs called β2-adrenoceptor agonists. It is a prescription medicine used to treat symptoms of bronchospasm. Albuterol Sulfate may be used alone or with other medications.

Technology Process of Albuterol Sulfate

There total 2 articles about Albuterol Sulfate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

R-salbutamol*pivalic acid → salbutamol sulfate (34245-12-0,36519-31-0,39971-61-4,51022-70-9,65143-06-8,148563-15-9,148563-16-0,324000-05-7,324000-04-6)

Guidance literature:

With sulfuric acid; In methanol; for 0.5h;

Reference yield:

→ salbutamol sulfate (34245-12-0,36519-31-0,39971-61-4,51022-70-9,65143-06-8,148563-15-9,148563-16-0,324000-05-7,324000-04-6)

Guidance literature:

Reference yield:

salbutamol sulfate (34245-12-0,36519-31-0,39971-61-4,51022-70-9,65143-06-8,148563-15-9,148563-16-0,324000-05-7,324000-04-6) + propranolol (525-66-6) → (R)-2-tert-butylamino-1-(4-hydroxy-2-hydroxymethyl-phenyl)ethanol (324000-05-7,324000-04-6) + (S)-2-tert-butylamino-1-(4-hydroxy-2-hydroxymethyl-phenyl)ethanol (324000-05-7,324000-04-6) + (S)-1-isopropylamino-3-(1-naphthyloxy)-2-propanol (4199-09-1) + (R)-propranolol (525-66-6,4199-09-1,5051-22-9,13013-17-7)

Guidance literature:

With ammonium hydroxide; trifluoroacetic acid; In methanol; water; at 30 ℃; pH=4.1; Solvent; pH-value; Resolution of racemate;

DOI:10.1002/chir.22154

Downstream raw materials:

(R)-2-tert-butylamino-1-(4-hydroxy-2-hydroxymethyl-phenyl)ethanol

(S)-2-tert-butylamino-1-(4-hydroxy-2-hydroxymethyl-phenyl)ethanol

(S)-1-isopropylamino-3-(1-naphthyloxy)-2-propanol

(R)-propranolol

Refernces

• 1、 -. "Drug delivery system". . . Retrieved 2008/06/13.