Moxifloxacin - ≥97% , CAS No.354812-41-2

CAS: 354812-41-2 Cat. No.: M418538 分子式: C₂₁H₂₄FN₃O₄ 分子量: 401.43

GRADE & PURITY ≥97%

Synonyms

AKOS025149634 | FT-0689612 | CID 4259 | DTXSID30861404 | STL483394 | 1-cyclopropyl-6-fluoro-8-methoxy-7-(octahydro-6h-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 8-fluoro-6-methoxymoxifloxacin dihydrochloride | 3-Quinolineca

Storage

Room temperature

概要

Moxifloxacin is a synthetic fluoroquinolone antibiotic agent.

Specifications

同義語

AKOS025149634 | FT-0689612 | CID 4259 | DTXSID30861404 | STL483394 | 1-cyclopropyl-6-fluoro-8-methoxy-7-(octahydro-6h-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 8-fluoro-6-methoxymoxifloxacin dihydrochloride | 3-Quinolineca

仕様と純度

≥97%

保管条件

Room temperature

アクションタイプ

INHIBITOR

純度

≥97%

製品の性質

• ALogP: -0.702
• hba_count: 3
• HBD数: 1
• 回転可能な結合: 4

名前と識別子

• パブケム・シド: 488179823
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488179823
• カノニカル・スマイル: COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O
• IUPAC Name: 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
• InChIKey: FABPRXSRWADJSP-UHFFFAOYSA-N
• INCHI: 1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)
• 異性体SMILES: COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O
• 分子量: 401.43
• Reaxy-Rn: 9165045
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9165045&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Quinolines and derivatives
      • Subclass Quinoline carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Quinolines and derivatives
• Subclass: Quinoline carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxylic acids
• Alternative Parents: Fluoroquinolones Haloquinolines Hydroquinolones Aminoquinolines and derivatives Hydroquinolines Pyrrolopyridines Pyridinecarboxylic acids Methoxyanilines Dialkylarylamines Anisoles Alkyl aryl ethers Aryl fluorides Piperidines Pyrrolidines Heteroaromatic compounds Vinylogous amides Amino acids Azacyclic compounds Dialkylamines Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxylic acid - Fluoroquinolone - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyrrolopyridine - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Methoxyaniline - Anisole - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Alkyl aryl ether - Aryl halide - Aryl fluoride - Benzenoid - Piperidine - Pyridine - Heteroaromatic compound - Vinylogous amide - Pyrrolidine - Amino acid or derivatives - Tertiary amine - Amino acid - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Amine - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
• 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

化学的性質と物理的性質

• DMSO（mM） 最大溶解度: 59.7860610807402
• 水（mM） 最大溶解度: -2.49108587836417
• 分子量: 401.400 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 401.175 Da
• Monoisotopic Mass: 401.175 Da
• Topological Polar Surface Area: 82.100 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 727.000
• 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: 1

参考文献

1. Yanqiu Zhang, Yang Lu, Minrui Sun, Dechang Zeng.  (2023)  A Multi-Functional Fluorescence Sensing Platform Based on a Defective UiO-66 for Tetracycline and Moxifloxacin.  Water,  16  (1): (145).  [PMID:] [10.3390/w16010145]

2. L. Wang, D. Wang, Y. Tao, J. Wang, M. Tian, Q. Liu, Y. Yang, Y. Zou, F. Ke, X. Guo, X. Li, D. Gao.  (2023)  Phenylboronic acid functionalized high-crystallinity fluorescent covalent organic framework act as a sensing platform with dual performance for rifamycin antibiotics and water and adsorbent for rifamycin antibiotics.  Materials Today Chemistry,      [PMID:] [10.1016/j.mtchem.2023.101647]

3. Zhiwen Li, Zhilin Zhou, Jianghua Wang, Tingxian Tao, Yingqiang Fu.  (2023)  Aggregation-induced emission enhancement N, S-CQDs for selective detection of CIP in the environment.  NANOTECHNOLOGY,  34  (39): (395503).  [PMID:37343538] [10.1088/1361-6528/ace05a]

4. Xuefeng Zhang, Xiaowen Kang, Junyou Wu, Qin Yang, Yuejie Zhang, Jiahao He, Chao Zheng, Yingchun Yang, Zhixiang Ye.  (2023)  Sulfur-doped mesoporous ferric oxide used for effectively activating H2O2 to degrade moxifloxacin.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2023.109526]

5. Zhenyu Lu, Gongke Li, Yufei Hu.  (2022)  A Tb3+ functionalized triazine-porous organic framework as a ratiometric fluorescent sensor for determination of ciprofloxacin in aquatic products.  NEW JOURNAL OF CHEMISTRY,  46  (40): (19153-19160).  [PMID:] [10.1039/D2NJ03657F]

6. 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]

7. Jin'ai Chen, Yuting Jin, Taotao Ren, Shuo Wang, Xianghong Wang, Fuyuan Zhang, Yiwei Tang.  (2022)  A novel terbium (III) and aptamer-based probe for label-free detection of three fluoroquinolones in honey and water samples.  FOOD CHEMISTRY,      [PMID:35334319] [10.1016/j.foodchem.2022.132751]

8. Gao Xue, Sun Minjun, Liu Xiuying, Li Xuepeng, Li Jianrong.  (2022)  A ratiometric fluorescence platform based on carbon dots for visual and rapid detection of copper(II) and fluoroquinolones.  MICROCHIMICA ACTA,  189  (4): (1-9).  [PMID:35292904] [10.1007/s00604-022-05243-3]

9. Jin Yuting, Yan Rongfang, Wang Shuo, Wang Xianghong, Zhang Xuemei, Tang Yiwei.  (2022)  Dipeptide nanoparticle and aptamer-based hybrid fluorescence platform for enrofloxacin determination.  MICROCHIMICA ACTA,  189  (3): (1-8).  [PMID:35147788] [10.1007/s00604-022-05182-z]

10. Chao Yang, Yiang Fan, Shanshan Shang, Pu Li, Xiao-yan Li.  (2021)  Fabrication of a permeable SnO2-Sb reactive anodic filter for high-efficiency electrochemical oxidation of antibiotics in wastewater.  ENVIRONMENT INTERNATIONAL,      [PMID:34418849] [10.1016/j.envint.2021.106827]

11. Chong-Fa Lai, Wei-Bin Xiao, Hua-Cheng Yan, Hui Yang, Lu-Xia Wang, Hui Guan, Qiu-ju Peng, Zhi-Rong Deng, Jian-Wen Chen, Lin-Kun An, Lei Shi.  (2020)  ZTW-41, a Potent Indolizinoquinoline-5,12-Dione Derivative Against Drug-Resistant Staphylococci and Enterococci Bacteria.  Microbial Drug Resistance,  26  (2): (100-109).  [PMID:31441704] [10.1089/mdr.2019.0008]

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13. Da-Qi Cao, Wen-Yu Yang, Zhen Wang, Xiao-Di Hao.  (2019)  Role of extracellular polymeric substance in adsorption of quinolone antibiotics by microbial cells in excess sludge.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2019.03.230]

14. Suyu Ren, Jing Tao, Feng Tan, Ying Cui, Xiaona Li, Jingwen Chen, Xin He, Yi Wang.  (2018)  Diffusive gradients in thin films based on MOF-derived porous carbon binding gel for in-situ measurement of antibiotics in waters.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:30029123] [10.1016/j.scitotenv.2018.07.013]

15. Wang Nan, Wang Yan-Fei, Omer Ahmed M., Ouyang Xiao-kun.  (2017)  Fabrication of novel surface-imprinted magnetic graphene oxide-grafted cellulose nanocrystals for selective extraction and fast adsorption of fluoroquinolones from water.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  409  (28): (6643-6653).  [PMID:28940000] [10.1007/s00216-017-0619-9]

16. Yan-Fei Wang, Yang-Guang Wang, Xiao-Kun Ouyang, Li-Ye Yang.  (2017)  Surface-Imprinted Magnetic Carboxylated Cellulose Nanocrystals for the Highly Selective Extraction of Six Fluoroquinolones from Egg Samples.  ACS Applied Materials & Interfaces,      [PMID:28005332] [10.1021/acsami.6b12206]

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よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 354812-41-2, the molecular formula is C21H24FN3O4, and the molecular weight is 401.43 g/mol. InChIKey FABPRXSRWADJSP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.