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Terbutaline solution - analytical standard,1.00mg/ml in methanol, high purity , CAS No.23031-32-5
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, 1.00mg/ml in methanol
Storage Temp
Protected from light,Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
analytical standard
Taxonomic Classification
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
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.
Associated Targets(Human)
Associated Targets(non-human)
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/c2*1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8;1-5(2,3)4/h2*4-6,11,13-16H,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)
Chemical and Physical Properties
Sensitivity
Light sensitive
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 Ų
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
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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8 Citations
I2109421