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

CAS: 113617-63-3 Cat. No.: O114263 Fórmula: C19H20F3N3O3 Peso molecular: 395.38 Número CE: 638-855-2
Disponível para encomenda
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
Alemanha (EU)
USA*
Price
Qty
100mg
O114263-100mg
—
3 Em stock
76,27€
Enter a quantity for the sizes you want to add.
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Why this grade

analytical standard Analytical 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

Sinónimos
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
Especificações e pureza
analytical standard
Mecanismos bioquímicos e fisiológicos
Fluoroquinolone antibiotic. Inhibits topoisomerase II ligase resulting in DNA fragmentation.
Condições de armazenamento de armazenamento
Room temperature
Enviado em
Normal
Grau
Analytical standard
Nota
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.
Nomes e identificadores
Pubchem Sid508813218
Sorrisos canónicosCC1CN(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+
SMILES isoméricas 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 Alemanha 3
Peso molecular 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
ClasseQuinolines 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
DescriçãoThis 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
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
POLK Tbio DNA polymerase kappa (8653 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PMP22 Tbio Peripheral myelin protein 22 (699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Micrococcus luteus (7463 Activities)
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Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus intermedius (187 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Proteus mirabilis (3894 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Salmonella typhi (4293 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bacillus (868 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bacillus subtilis (32866 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
clpP ATP-dependent Clp protease proteolytic subunit (245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
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 TypeDataItem
D1514001Certificate of AnalysisJul 12, 2024 O114263
Propriedades químicas e físicas
Ponto de fusão (°C)260 °C(dec.)
Peso molecular395.400 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
Referências
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]
Calculadoras de soluções
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