Salbutamol sulfate - ≥95% , Beta-2 adrenergic receptor agonist, CAS No.51022-70-9, Beta-2 adrenergic receptor agonist

CAS: 51022-70-9 Cat. No.: B301272 Molecular Weight: 576.70 EC Number: 256-916-8

GRADE & PURITY ≥95%

Synonyms

Proventil | Proventil-HFA | Ventolin Rotacaps | Albuterol sulfate [USAN] | Emican | R03CC02 | Salbumol | ALBUTEROL SULFATE [MI] | Proair Respiclick | Sch-13949w sulphate | ALBUTEROL SULFATE (USP MONOGRAPH) | PROAIRHFA | Proventil Repetabs | Salbutamol sul

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

Proventil | Proventil-HFA | Ventolin Rotacaps | Albuterol sulfate [USAN] | Emican | R03CC02 | Salbumol | ALBUTEROL SULFATE [MI] | Proair Respiclick | Sch-13949w sulphate | ALBUTEROL SULFATE (USP MONOGRAPH) | PROAIRHFA | Proventil Repetabs | Salbutamol sul

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

AGONIST

Mechanism of action

Beta-2 adrenergic receptor agonist

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504753593
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753593
• 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
• IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acid
• InChIKey: BNPSSFBOAGDEEL-UHFFFAOYSA-N
• INCHI: 1S/2C13H21NO3.H2O4S/c2*1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;1-5(2,3)4/h2*4-6,12,14-17H,7-8H2,1-3H3;(H2,1,2,3,4)
• Isomeric 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
• Molecular Weight: 576.70
• Reaxy-Rn: 4221827
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4221827&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzyl alcohols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyl alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl alcohols
• Alternative Parents: Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Organic sulfuric acids Secondary alcohols 1,2-aminoalcohols Dialkylamines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Not available
• Substituents: Benzyl alcohol - 1-hydroxy-2-unsubstituted benzenoid - Sulfuric acid - Aralkylamine - Phenol - Organic sulfuric acid or derivatives - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Primary alcohol - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water and 1M sodium hydroxide (50 mg/ml).
• Sensitivity: Light sensitive
• Flash Point(°C): >250°C
• Melt Point(°C): 180°C
• Molecular Weight: 576.700 g/mol
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 576.272 Da
• Monoisotopic Mass: 576.272 Da
• Topological Polar Surface Area: 228.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 309.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

References

1. Shuyan Xiao, Liang Sun, Mingqin Kang, Zhongping Dong.  (2022)  A label-free aptasensor for clenbuterol detection based on fluorescence resonance energy transfer between graphene oxide and rhodamine B.  RSC Advances,  12  (50): (32737-32743).  [PMID:36425698] [10.1039/D2RA06260G]

2. Li Wang, Yan Sun, Qi Liu.  (2015)  Determination of Pharmaceuticals and Personal Care Product Components in Wastewater Using Capillary Electrophoresis Coupled with Solid Phase Extraction.  ANALYTICAL LETTERS,      [PMID:] [10.1080/00032719.2014.966377]

3. Ru Liu, Xin Zhuang, Ping Lin, Luyao Lin, Jiajia Liu, Yuhua Hu, Ruiyun You, Yudong Lu.  (2025)  A hydrogel-based SERS sensor with wearable potential and machine learning integration for sweat stimulant detection.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.171522]