Enrofloxacin-D5 - ≥99 atom%,≥98% , CAS No.1173021-92-5

CAS: 1173021-92-5 Cat. No.: E266091 Molecular Weight: 364.43

GRADE & PURITY ≥99 atom%,≥98%

Synonyms

MFCD28899610 | AKOS030243130 | DTXSID60675879 | 1173021-92-5 | 1ST4107D5 | 1-cyclopropyl-7-{4-[(1,1,2,2,2-(2)H?)ethyl]piperazin-1-yl}-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-[4-(ethyl-1,1,2,2,2-d

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Enrofloxacin-d5 is a labelled fluorinated quinolone antibacterial. 

Specifications

Synonyms

MFCD28899610 | AKOS030243130 | DTXSID60675879 | 1173021-92-5 | 1ST4107D5 | 1-cyclopropyl-7-{4-[(1, 1, 2, 2, 2-(2)H?)ethyl]piperazin-1-yl}-6-fluoro-4-oxo-1, 4-dihydroquinoline-3-carboxylic acid | 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-[4-(ethyl-1, 1, 2, 2, 2-d

Specifications & Purity

≥99 atom%, ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99 atom%, ≥98%

Names and Identifiers

• Canonical Smiles: CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F
• IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(1,1,2,2,2-pentadeuterioethyl)piperazin-1-yl]quinoline-3-carboxylic acid
• InChIKey: SPFYMRJSYKOXGV-ZBJDZAJPSA-N
• INCHI: 1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)/i1D3,2D2
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F
• Alternate CAS: 93106-60-6（unlabelled）
• Molecular Weight: 364.43
• Reaxy-Rn: 5307824
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5307824&ln=

Taxonomic Classification

Taxonomy Tree

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

• 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 Hydroquinolones Aminoquinolines and derivatives Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines N-alkylpiperazines Aryl fluorides Benzenoids Heteroaromatic compounds Vinylogous amides Trialkylamines Amino acids Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxylic acid - Fluoroquinolone - N-arylpiperazine - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - N-alkylpiperazine - Benzenoid - Pyridine - Aryl fluoride - Piperazine - Aryl halide - 1,4-diazinane - Vinylogous amide - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Organic oxide - Organofluoride - Organohalogen 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

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

Chemical and Physical Properties

• Solubility: Chloroform (Slightly), Methanol (Slightly, Heated)
• Molecular Weight: 364.400 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 364.196 Da
• Monoisotopic Mass: 364.196 Da
• Topological Polar Surface Area: 64.099 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 613.000
• Isotope Atom Count: 5
• 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: 1