Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥95% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Argon charged Ships Ice chest + Ice pads 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 19 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O |
|---|---|
| IUPAC Name | (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChIKey | VAAUVRVFOQPIGI-SPQHTLEESA-N |
| INCHI | 1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1 |
| Isomeric SMILES | CN1C(=NC(=O)C(=O)N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O |
| Molecular Weight | 554.58 |
| Reaxy-Rn | 34636928 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34636928&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 | Organoheterocyclic compounds |
| Class | Lactams |
| Subclass | Beta lactams |
| Intermediate Tree Nodes | Cephems |
| Direct Parent | Cephalosporins |
| Alternative Parents | N-acyl-alpha amino acids and derivatives 2,4-disubstituted thiazoles Alkylarylthioethers 1,2,4-triazines 1,3-thiazines 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Primary amines Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Meta-thiazine - 1,2,4-triazine - 1,3-thiazol-2-amine - Triazine - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Amino acid or derivatives - Azetidine - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Sulfenyl compound - Hemithioaminal - Thioether - Dialkylthioether - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof. |
| External Descriptors | Cephems |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Aug 30, 2025 | C304513 | |
| Certificate of Analysis | Aug 30, 2025 | C304513 | |
| Certificate of Analysis | Aug 30, 2025 | C304513 | |
| Certificate of Analysis | Aug 30, 2025 | C304513 | |
| Certificate of Analysis | Aug 08, 2023 | C304513 | |
| Certificate of Analysis | Aug 08, 2023 | C304513 | |
| Certificate of Analysis | Aug 08, 2023 | C304513 | |
| Certificate of Analysis | Aug 08, 2023 | C304513 | |
| Certificate of Analysis | Aug 08, 2023 | C304513 | |
| Certificate of Analysis | Aug 08, 2023 | C304513 | |
| Certificate of Analysis | Aug 08, 2023 | C304513 | |
| Certificate of Analysis | Aug 08, 2023 | C304513 |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
|---|---|
| Sensitivity | light sensitive;Moisture sensitive |
| Melt Point(°C) | >189°C |
| Molecular Weight | 554.600 g/mol |
| XLogP3 | -1.300 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 8 |
| Exact Mass | 554.046 Da |
| Monoisotopic Mass | 554.046 Da |
| Topological Polar Surface Area | 288.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 1110.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
| 1. Yangfa Chao, Wenting Huang, Zhiheng Xu, Ping Li, Shaodong Gu. (2023) Effect of RUNX1/FOXP3 axis on apoptosis of T and B lymphocytes and immunosuppression in sepsis. Open Medicine, 18 (1): [PMID:37636994] [10.1515/med-2023-0728] |
| 2. Yexuan Mao, Yichao Fan, Ran Yang, Youyi Wang, Qingyue Li, Meng Dang, Xianqing Huang, Lianjun Song, Pingan Zhang, Miao Song, Liang Liu, Linli Wang, Shun Yu, Qiuyan Zhao, Xiya Zhang. (2023) A highly sensitive electrochemical sensor derived from peptide amphiphilic inspired self-assembled, ordered gold nanoparticles for determination of 22 β-lactams. ELECTROCHIMICA ACTA, [PMID:] [10.1016/j.electacta.2023.142669] |
| 3. Junyu Qian, Haotian Qin, Peijie Zeng, Jiaming Hou, Xiaoshan Mo, Gang Shen, Hui Zeng, Wentai Zhang, Yingqi Chen, Guojiang Wan. (2023) Metal-organic Zn-zoledronic acid and 1-hydroxyethylidene-1,1-diphosphonic acid nanostick-mediated zinc phosphate hybrid coating on biodegradable Zn for osteoporotic fracture healing implants. Acta Biomaterialia, [PMID:37196904] [10.1016/j.actbio.2023.05.020] |
| 4. Lishan Zhang, Zujie Yao, Huamei Tang, Qingli Song, Huanhuan Song, Jindong Yao, Zhen Li, Xiaofang Xie, Yuexu Lin, Xiangmin Lin. (2022) The Lysine Acetylation Modification in the Porin Aha1 of Aeromonas hydrophila Regulates the Uptake of Multidrug Antibiotics. MOLECULAR & CELLULAR PROTEOMICS, 21 (9): [PMID:35605723] [10.1016/j.mcpro.2022.100248] |
| 5. Shuangmin Wu, Wei Shen, Yushuang Chen, Yongli Zhu, Ren Hou, Menghong Dai, Dapeng Peng. (2022) Rapid Determination of Cephalexin in Animal-Derived Food by an Indirect Competitive Enzyme-Linked Immunosorbent Assay. ANALYTICAL LETTERS, [PMID:] [10.1080/00032719.2022.2072857] |
| 6. Miao Z. H., Zhou W. X., Cheng R. Y., Liang H. J., Jiang F. L., Shen X., Lu J. H., Li M., He F.. (2021) Dysbiosis of intestinal microbiota in early life aggravates high-fat diet induced dysmetabolism in adult mice. BMC MICROBIOLOGY, 21 (1): (1-12). [PMID:34238228] [10.1186/s12866-021-02263-6] |
| 7. Ruyue Cheng, Jiawen Guo, Yujie Zhang, Guo Cheng, Wei Qian, ChaoMin Wan, Ming Li, Francesco Marotta, Xi Shen, Fang He. (2021) Impacts of ceftriaxone exposure during pregnancy on maternal gut and placental microbiota and its influence on maternal and offspring immunity in mice. EXPERIMENTAL ANIMALS, [PMID:33268669] [10.1538/expanim.20-0114] |
| 8. Yanan Cai, Jing He, Jinkang Zhang, Jicheng Li. (2020) Antibiotic contamination control mediated by manganese oxidizing bacteria in a lab-scale biofilter. Journal of Environmental Sciences, [PMID:33097157] [10.1016/j.jes.2020.05.024] |
| 9. Miao Zhonghua, Cheng Ruyue, Zhang Yujie, Liang Huijing, Jiang Fengling, Shen Xi, Chen Gong, Zhang Qisheng, He Fang, Li Ming. (2020) Antibiotics can cause weight loss by impairing gut microbiota in mice and the potent benefits of lactobacilli. BIOSCIENCE BIOTECHNOLOGY AND BIOCHEMISTRY, 84 (2): (411-420). [PMID:31661358] [10.1080/09168451.2019.1676696] |
| 10. Chen Lili, Xu Hui, Wang Li, Li Yong, Tian Xike. (2020) Portable ratiometric probe based on the use of europium(III) coordination polymers doped with carbon dots for visual fluorometric determination of oxytetracycline. MICROCHIMICA ACTA, 187 (2): (1-8). [PMID:31938900] [10.1007/s00604-019-4104-3] |
| 11. Yunlei Zhou, Fei Li, Hanwen Wu, Yan Chen, Huanshun Yin, Shiyun Ai, Jun Wang. (2019) Electrochemical aptasensing strategy for kanamycin detection based on target-triggered single-strand DNA adsorption on MoS2 nanosheets and enzymatic signal amplification. SENSORS AND ACTUATORS B-CHEMICAL, [PMID:] [10.1016/j.snb.2019.126664] |
| 12. Cheng RuYue, Guo JiaWen, Pu FangFang, Wan ChaoMin, Shi Lei, Li HuaWen, Yang YuHong, Huang ChengYu, Li Ming, He Fang. (2019) Loading ceftriaxone, vancomycin, and Bifidobacteria bifidum TMC3115 to neonatal mice could differently and consequently affect intestinal microbiota and immunity in adulthood. Scientific Reports, 9 (1): (1-15). [PMID:30824845] [10.1038/s41598-018-35737-1] |
| 13. Tingting Fang, Hui Wang, Qijia Cui, Matt Rogers, Peiyan Dong. (2018) Diversity of potential antibiotic-resistant bacterial pathogens and the effect of suspended particles on the spread of antibiotic resistance in urban recreational water. WATER RESEARCH, [PMID:30199799] [10.1016/j.watres.2018.08.042] |
| 14. Zhenbin Chen, Haohan Cai, Feng Huang, Zongping Wang, Yiqun Chen, Zizheng Liu, Pengchao Xie. (2024) Degradation of β-lactam antibiotics by Fe(III)/HSO3− system and their quantitative structure-activity relationship. ENVIRONMENTAL RESEARCH, [PMID:38986801] [10.1016/j.envres.2024.119577] |
| 15. Xiaohua Zhang, Ruyun Han, Xinli Gao, Chao Jiang, Xudong Zhao, Wenjing Shi, Hengxiang Li, Baosheng Liu. (2024) Liquid-waste derived magnetic porous carbon sphere for effective removal of tetracycline from aqueous solution. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, [PMID:] [10.1016/j.colsurfa.2024.133522] |
| 16. Feiyu Yu, Shuyao Zhu, Qingyang Lv, Dan Fang, Haijie Zhang, Zhiqiang Wang, Yuan Liu. (2025) Lon dysfunction-mediated collateral sensitivity drives effective antibiotic combination therapies against tigecycline-resistant pathogens. Cell Reports, [PMID:40650911] [10.1016/j.celrep.2025.115987] |
| 17. Lina Wei, Lei Wang, Yang Yu, Xiaozhou Sun, Liang Liu, Jing Han, Yongji Wang, Yinan Guo. (2025) Ma-Xing-Shi-Gan Decoction Modulates the Gut-Lung Axis in Pediatric Bacterial Pneumonia via HDAC3/NF-κB Signaling and SCFA Restoration. FASEB JOURNAL, 39 (16): (e70906). [PMID:40815011] [10.1096/fj.202501200R] |
| 18. Xiansu Liu, Hanwen Ren, Biao Wang, DongDong Zhao, Haolin Xiao, Qunfeng Tang, Hongli Huang, Feijun Zhao, Zhencheng Chen. (2025) An Integrated Electrochemiluminescence Microfluidic Device For Detecting Ultra-low Concentration of Ceftriaxone. BIOSENSORS & BIOELECTRONICS, [PMID:40505494] [10.1016/j.bios.2025.117657] |
| 19. Jiawen Li, Zhenghe Wang, Linhui Qian, Jianqiao Zhao, Zhengjun Zhang, Weipeng Wang. (2026) Hierarchical hotspot engineering for ultrasensitive antibiotics sensing in human body fluids. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2026.175631] |
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