≥99% 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504764337 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504764337 |
| Canonical Smiles | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O.CS(=O)(=O)O.O.O |
| IUPAC Name | 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid;dihydrate |
| InChIKey | LEULAXMUNMRLPW-UHFFFAOYSA-N |
| INCHI | 1S/C17H20FN3O3.CH4O3S.2H2O/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21;1-5(2,3)4;;/h8-10H,3-7H2,1-2H3,(H,23,24);1H3,(H,2,3,4);2*1H2 |
| Isomeric SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O.CS(=O)(=O)O.O.O |
| WGK Germany | 3 |
| RTECS | VB2002200 |
| Molecular Weight | 465.49 |
| Reaxy-Rn | 21221655 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21221655&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 | Quinolines and derivatives |
| Subclass | Quinoline carboxylic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinoline carboxylic acids |
| Alternative Parents | Fluoroquinolones N-arylpiperazines Haloquinolines Aminoquinolines and derivatives Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines N-methylpiperazines Benzenoids Aryl fluorides Vinylogous amides Sulfonyls Methanesulfonates Alkanesulfonic acids Heteroaromatic compounds Organosulfonic acids Amino acids Trialkylamines Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organooxygen compounds Organofluorides |
| Molecular Framework | Not available |
| Substituents | Quinoline-3-carboxylic acid - Fluoroquinolone - N-arylpiperazine - Haloquinoline - Aminoquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - N-methylpiperazine - N-alkylpiperazine - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Benzenoid - Pyridine - Alkanesulfonic acid - Heteroaromatic compound - Methanesulfonate - Vinylogous amide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Amino acid or derivatives - Tertiary amine - Amino acid - Tertiary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organosulfur compound - Hydrocarbon derivative - Amine - Organic oxide - Organohalogen compound - Organofluoride - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H1815095 | Certificate of Analysis | Mar 20, 2026 | P102019 |
| E1810114 | Certificate of Analysis | Jan 05, 2026 | P102019 |
| E1810115 | Certificate of Analysis | Jan 05, 2026 | P102019 |
| L2515031 | Certificate of Analysis | Dec 19, 2025 | P102019 |
| A2203149 | Certificate of Analysis | Oct 13, 2025 | P102019 |
| A2203150 | Certificate of Analysis | Oct 13, 2025 | P102019 |
| A2203157 | Certificate of Analysis | Oct 13, 2025 | P102019 |
| A2203158 | Certificate of Analysis | Oct 13, 2025 | P102019 |
| A2203159 | Certificate of Analysis | Oct 13, 2025 | P102019 |
| D2501696 | Certificate of Analysis | Apr 02, 2024 | P102019 |
| H1526026 | Certificate of Analysis | Apr 14, 2023 | P102019 |
| A2513348 | Certificate of Analysis | Jan 06, 2022 | P102019 |
| Melt Point(°C) | 300°C |
|---|---|
| Molecular Weight | 465.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 3 |
| Exact Mass | 465.158 Da |
| Monoisotopic Mass | 465.158 Da |
| Topological Polar Surface Area | 129.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 638.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 4 |
| 1. Rong Shen, Yichang Yu, Qinfang Liu, Ruili Wang, Rong Lan, Hui Feng, Ran Yu, Lihua Jin, Ye Li. (2022) Toxic Effects and Mechanism of Pefloxacin on the Early Life Stage of Zebrafish (Danio rerio). Water, 14 (23): (3857). [PMID:] [10.3390/w14233857] |
| 2. Xinqi Zheng, Pengran Guo, Yue Zhang, Jingwei Xu, Jian Sun, Yongqian Lei. (2022) An ultra sensitive and rapid SERS detection method based on vortex aggregation enhancement effect for anti-infective drug residues detection in water. ANALYTICA CHIMICA ACTA, [PMID:36368827] [10.1016/j.aca.2022.340539] |
