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Terbutaline hemisulfate salt - analytical standard, high purity , Beta-2 adrenergic receptor agonist, CAS No.23031-32-5, Beta-2 adrenergic receptor agonist

8 Citations

COA

Grade & Purity:

analytical standard

Cas Number: 23031-32-5
Molecular Weight: 274.32
EC Number: 245-386-3
MDL number: MFCD00079584
PubChem CID: 441334

In stock

Item Number

T100926

Grouped product items
SKU	Size	Availability	Price
T100926-100mg	100mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$103.90
T100926-250mg	250mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$206.90
T100926-500mg	500mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$330.90
T100926-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$529.90

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Basic Description

Synonyms	Sulfacyl sodium salt \| bis(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol); sulfuric acid \| CAS-23031-32-5 \| Tox21_110602_1 \| Bretine \| NCGC00261811-01 \| E1015 \| NSC-757336 \| Terbutaline (sulfate) \| 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)
Specifications & Purity	analytical standard
Shipped In	Normal
Grade	analytical standard
Action Type	AGONIST
Mechanism of action	Beta-2 adrenergic receptor agonist

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Benzenediols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Benzenediols
Intermediate Tree Nodes	Not available
Direct Parent	Resorcinols
Alternative Parents	Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organic sulfate salts Benzene and substituted derivatives Organic sulfuric acids and derivatives Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Not available
Substituents	Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - Organic sulfate salt - Organic sulfuric acid or derivatives - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Aromatic alcohol - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
External Descriptors	Not available
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)

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

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

Discover Target: EHMT2

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LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

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MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)

Discover Target: MPHOSPH8

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;sulfuric acid
INCHI	InChI=1S/2C12H19NO3.H2O4S/c21-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8;1-5(2,3)4/h24-6,11,13-16H,7H2,1-3H3;(H2,1,2,3,4)
InChIKey	KFVSLSTULZVNPG-UHFFFAOYSA-N
Smiles	CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.OS(=O)(=O)O
Isomeric SMILES	CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.OS(=O)(=O)O
WGK Germany	3
RTECS	DN9000000
PubChem CID	441334
Molecular Weight	274.32

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
E2224105	Certificate of Analysis	Feb 23, 2024	T100926
H2218361	Certificate of Analysis	Aug 25, 2022	T100926
H2218358	Certificate of Analysis	Aug 25, 2022	T100926
H2218360	Certificate of Analysis	Aug 25, 2022	T100926

Chemical and Physical Properties

Solubility	Terbutaline hemisulfate salt dissolves in water at 100 mg/ml to yield a colorless to yellow, clear to slightly hazy solution.
Molecular Weight	548.600 g/mol
XLogP3
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	8
Exact Mass	548.24 Da
Monoisotopic Mass	548.24 Da
Topological Polar Surface Area	228.000 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	286.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

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).
2. Shuyu Ouyang, Dachuan Zhang, Tengfei Zhu, Shuting Yu, Wunier, Qian-Nan Hu, Yingying Le. (2021) Development of 3D-QSAR models for predicting the activities of chemicals to stimulate muscle growth via β2-adrenoceptor. TOXICOLOGY IN VITRO, 77 (105251).
3. Hui Xu, Zijie Feng, Yingxiang Du. (2020) Synthesis, application and molecular modeling study of ionic liquid functionalized lactobionic acid, 3-methyl-1-(3-sulfopropyl)-1H-imidazol-3-ium lactobionate, as a chiral selector in capillary electrophoresis. ANALYST, 145 (3): (1025-1032).
4. Yufeng Zhou, Haijiao Zheng, Jiutong Ma, Qiong Jia. (2017) Preparation of a polymer monolith modified with delaminated layered double hydroxides for the microextraction of β-agonists. JOURNAL OF SEPARATION SCIENCE, 40 (7): (1548-1555).
5. Fan Zhang, Miaomiao Chen, Haiqing Zhang, Huayu Xiong, Wei Wen, Xiuhua Zhang, Shengfu Wang. (2017) Fluorescence suppression of MPA stabilized CdTe QDs for direct determination of propranolol. Analytical Methods, 9 (6): (929-936).
6. Sovichea Lay, Hai-ning Yu, Bao-xiang Hu, Sheng-rong Shen. (2016) Molecularly imprinted polymers as the extracted sorbents of clenbuterol ahead of liquid chromatographic determination. Journal of Zhejiang University-SCIENCE B, 17 (6): ( 465–475).
7. Yingnan Liu,Yaqing Xiao,Min Yu,Yuanyuan Cao,Fan Li,Pei Jia,Du Guo,Xinyu Sun,Li Wang. (2020-08-29) Ratiometric Fluorescent Probe Based on Diazotization-Coupling Reaction for Determination of Clenbuterol.. Journal of agricultural and food chemistry, 68 ((41)): (11578-11585).
8. Wang Peng, Liu Gengsheng, Sun Guifen, Meng Chuizhou, Shen Guozhen, Li Yang. (2024) An Integrated Bifunctional Pressure‒Temperature Sensing System Fabricated on a Breathable Nanofiber and Powered by Rechargeable Zinc–Air Battery for Long-Term Comfortable Health Care Monitoring. Advanced Fiber Materials, (1-16).

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