Orbifloxacin - analytical standard , CAS No.113617-63-3

CAS: 113617-63-3 Cat. No.: O114263 Summenformel: C19H20F3N3O3 Molekulargewicht: 395.38 EG-Nummer: 638-855-2
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
KS-5013 | NSC758614 | NSC-758614 | s4150 | A803076 | Orbifloxacin; 1-Cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | SCHEMBL125116 | Pharmakon1600-01503711 | DivK1c_006462 | CP 104354 | ORB
Storage
Room temperature
Shipped In
Normal
★
Size
Deutschland (EU)
USA*
Price
Qty
100mg
O114263-100mg
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3 Auf Lager
76,27€
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Why this grade

analytical standard Analytischer Standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyme
KS-5013 | NSC758614 | NSC-758614 | s4150 | A803076 | Orbifloxacin; 1-Cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | SCHEMBL125116 | Pharmakon1600-01503711 | DivK1c_006462 | CP 104354 | ORB
Spezifikationen & Reinheit
analytical standard
Biochemische und physiologische Mechanismen
Fluoroquinolone antibiotic. Inhibits topoisomerase II ligase resulting in DNA fragmentation.
Storage
Room temperature
Verschickt in
Normal
Note
Analytischer Standard
Hinweis
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Namen und Kennungen
Pubchem Sid508813218
Kanonisches LächelnCC1CN(CC(N1)C)C2=C(C3=C(C(=C2F)F)C(=O)C(=CN3C4CC4)C(=O)O)F
IUPAC Name1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acid
InChIKeyQIPQASLPWJVQMH-DTORHVGOSA-N
INCHI1S/C19H20F3N3O3/c1-8-5-24(6-9(2)23-8)17-14(21)13(20)12-16(15(17)22)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6H2,1-2H3,(H,27,28)/t8-,9+
Isomere SMILES C[C@@H]1CN(C[C@@H](N1)C)C2=C(C3=C(C(=C2F)F)C(=O)C(=CN3C4CC4)C(=O)O)F
WGK Deutschland 3
Molekulargewicht 395.38
Reaxy-Rn 33071769
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33071769&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
KlasseQuinolines and derivatives
SubclassQuinoline carboxylic acids
Intermediate Tree Nodes Not available
Direct ParentQuinoline carboxylic acids
Alternative Parents Fluoroquinolones  N-arylpiperazines  Haloquinolines  Hydroquinolones  Aminoquinolines and derivatives  Hydroquinolines  Pyridinecarboxylic acids  Dialkylarylamines  Aryl fluorides  Benzenoids  Vinylogous amides  Heteroaromatic compounds  Vinylogous halides  Amino acids  Azacyclic compounds  Monocarboxylic acids and derivatives  Dialkylamines  Carboxylic acids  Hydrocarbon derivatives  Organic oxides  Organofluorides  Organooxygen compounds  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Quinoline-3-carboxylic acid - Fluoroquinolone - N-arylpiperazine - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzenoid - Aryl fluoride - Pyridine - Aryl halide - Piperazine - 1,4-diazinane - Vinylogous amide - Vinylogous halide - Heteroaromatic compound - Tertiary amine - Amino acid - Amino acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
BeschreibungThis 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
3D-Struktur
Interaktives chemisches Strukturmodell





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Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot NumberCertificate TypeDatumArtikel
D1514001Certificate of AnalysisJul 12, 2024 O114263
Chemische und physikalische Eigenschaften
Schmelzpunkt (°C)260 °C(dec.)
Molekulargewicht395.400 g/mol
XLogP30.900
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass395.146 Da
Monoisotopic Mass395.146 Da
Topological Polar Surface Area72.900 Ų
Heavy Atom Count28
Formal Charge0
Complexity691.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referenzen
1. Panxue Wang, Li Wang, Cen Li, Xiang Li, Guoliang Li.  (2022)  Reliable and Rapid Detection and Quantification of Enrofloxacin Using a Ratiometric SERS Aptasensor.  MOLECULES,  27  (24): (8764).  [PMID:36557895] [10.3390/molecules27248764]
2. Zhao-Hong Hu, Yan–Fei Wang, Ahmed Mohamed Omer, Xiao–kun Ouyang.  (2017)  Fabrication of ofloxacin imprinted polymer on the surface of magnetic carboxylated cellulose nanocrystals for highly selective adsorption of fluoroquinolones from water.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:28890373] [10.1016/j.ijbiomac.2017.09.009]
3. Wenrui Li, Yike Dang, Ruihong Wang, Weizhong Jin, Xiangli Chen, Yafei Zhai, Zhuoqun Su, Guoliang Li.  (2024)  Fabrication of magnetic functionalized layered double hydroxide nanomaterials for detecting trace fluoroquinolones residues in meat integrated with HPLC-MS/MS.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2024.106672]
4. Guangxin Yang, Jingru Zhang, Junyu Zhang, Peng Wang, Wei Xia, Jun Wang, Xiaosheng Shen, Cong Kong.  (2025)  Utilization of wolfberry biomass waste-derived biochar as an efficient solid-phase extraction material for antibiotic detection in aquatic products.  FOOD CHEMISTRY,      [PMID:40617214] [10.1016/j.foodchem.2025.145390]
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