Determine the necessary mass, volume, or concentration for preparing a solution.
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analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(C(C(=O)O)O)(C(=O)O)O |
|---|---|
| IUPAC Name | 2,3-dihydroxybutanedioic acid;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol |
| InChIKey | YGULWPYYGQCFMP-UHFFFAOYSA-N |
| INCHI | 1S/2C15H25NO3.C4H6O6/c2*1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-1(3(7)8)2(6)4(9)10/h2*4-7,12,14,16-17H,8-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10) |
| Isómeros SMILES | CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(C(C(=O)O)O)(C(=O)O)O |
| Peso molecular | 684.81 |
| Reaxy-Rn | 6465966 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6465966&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sugar acids and derivatives |
| Alternative Parents | Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Monosaccharides Fatty acids and conjugates Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Secondary alcohols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | Beta-hydroxy acid - Short-chain hydroxy acid - Sugar acid - Alpha-hydroxy acid - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Fatty acid - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Alcohol - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group. |
| External Descriptors | Not available |
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| Peso molecular | 684.800 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 21 |
| Exact Mass | 684.383 Da |
| Monoisotopic Mass | 684.383 Da |
| Topological Polar Surface Area | 217.000 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 349.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 3 |
| 1. Qingqing Yang, Jing Sun, Chuan Li, Haizhi Zhang, Weiren Xu, Changxiao Liu, Xuemin Zheng. (2019) Comparative research on the metabolism of metoprolol by four CYP2D6 allelic variants in vitro with LC-MS/MS. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, [PMID:31228851] [10.1016/j.jpba.2019.06.016] |
| 2. Qinghao Cao, Chao Chen, Jun Huang, Dantong Shen, Haolin Chen, Huiqing Zhong, Zhiming Liu, Zhouyi Guo. (2022) Mussel-inspired hydrogels for fast fabrication of flexible SERS tape for point-of-care testing of β-blockers. ANALYST, 147 (16): (3652-3661). [PMID:35839093] [10.1039/D2AN00688J] |
| 3. Weiyingxue Yang, Chuixiu Huang, Xiantao Shen. (2022) Water-compatible Janus molecularly imprinted particles with mouth-like opening: Rapid removal of pharmaceuticals from hospital effluents. CHEMOSPHERE, [PMID:35714963] [10.1016/j.chemosphere.2022.135350] |
| 4. Xiaonan Li, Gang Xing, Xinxin Guo, Yang Wang, Zixia Hu, Maosheng Cheng, Ying Peng, Jiang Zheng. (2022) Identification of Metoprolol Tartrate-Derived Reactive Metabolites Possibly Correlated with Its Cytotoxicity. CHEMICAL RESEARCH IN TOXICOLOGY, [PMID:35575346] [10.1021/acs.chemrestox.2c00052] |
| 5. Yu-qiong Gao, Jia Zhang, Jin-qiang Zhou, Cong Li, Nai-yun Gao, Da-qiang Yin. (2020) Persulfate activation by nano zero-valent iron for the degradation of metoprolol in water: influencing factors, degradation pathways and toxicity analysis. RSC Advances, 10 (35): (20991-20999). [PMID:35517766] [10.1039/D0RA01273D] |
| 6. Shucheng Sun, Yujia Wang, Xin Liu, Rao Fu, Li Yang. (2017) Rapid and sensitive tapered-capillary microextraction combined to on-line sample stacking-capillary electrophoresis for extraction and quantification of two beta-blockers in human urine. TALANTA, [PMID:29332838] [10.1016/j.talanta.2017.12.035] |
| 7. Yajiao Liu, Jingjing Bao, Lei Zhang, Chen Chao, Jianjun Guo, Yuchuan Cheng, Yuejin Zhu, Gaojie Xu. (2017) Ultrasensitive SERS detection of propranolol based on sandwich nanostructure of molecular imprinting polymers. SENSORS AND ACTUATORS B-CHEMICAL, [PMID:] [10.1016/j.snb.2017.08.018] |
| 8. Jing Chen, Bao Qiong Li, Min Li Xu, Xue Wang, Yu Hong Jing, Hong Lin Zhai. (2016) Krawtchouk image moment method for the simultaneous determination of three drugs in human plasma based on fluorescence three-dimensional spectra. TALANTA, [PMID:27769504] [10.1016/j.talanta.2016.08.019] |
| 9. Sui-Qin Yang, Rui-Qiu Ye, Yu-Hong Cui, Zheng-Qian Liu, Kai Sun, Yu-Ze Yu. (2024) Transformation of metoprolol in UV/PDS process: Role and mechanisms of degradation and polymerization. JOURNAL OF HAZARDOUS MATERIALS, [PMID:38733782] [10.1016/j.jhazmat.2024.134498] |
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