Difloxacin-d3hydrochloride - ≥99% , CAS No.1173021-89-0

CAS: 1173021-89-0 Cat. No.: D646819 Molecular Weight: 402.413646 PubChem CID: 71312427

GRADE & PURITY ≥99%

Synonyms

Difloxacin-d3 (hydrochloride) | 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-[4-(trideuteriomethyl)piperazin-1-yl]quinoline-3-carboxylic acid;hydrochloride | HY-121272AS1 | Difloxacin D3 hydrochloride (methyl D3) | Difloxacin-d3 hydrochloride trihydrate, VETRANAL(

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Overview

Difloxacin-d 3 (hydrochloride) is the deuterium labeled Difloxacin (hydrochloride).

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs [17] . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Synonyms

Difloxacin-d3 (hydrochloride) | 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-[4-(trideuteriomethyl)piperazin-1-yl]quinoline-3-carboxylic acid;hydrochloride | HY-121272AS1 | Difloxacin D3 hydrochloride (methyl D3) | Difloxacin-d3 hydrochloride trihydrate, VETRANAL(

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Difloxacin-d 3 (hydrochloride) is the deuterium labeled Difloxacin (hydrochloride).

Storage

Store at 2-8°C, Protected from light, Desiccated

Shipped In

Wet ice

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

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F.Cl
• IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-[4-(trideuteriomethyl)piperazin-1-yl]quinoline-3-carboxylic acid;hydrochloride
• InChIKey: JFMGBGLSDVIOHL-NIIDSAIPSA-N
• INCHI: 1S/C21H19F2N3O3.ClH/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14;/h2-5,10-12H,6-9H2,1H3,(H,28,29);1H/i1D3
• Isomeric SMILES: [2H]C([2H])([2H])N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F.Cl
• PubChem CID: 71312427
• Molecular Weight: 402.413646

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Quinoline carboxylic acids Fluoroquinolones N-arylpiperazines Aminoquinolines and derivatives Hydroquinolones Haloquinolines Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines Fluorobenzenes N-methylpiperazines Aryl fluorides Vinylogous amides Heteroaromatic compounds Amino acids Trialkylamines Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Hydrochlorides Organic oxides Organofluorides Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - Quinoline-3-carboxylic acid - Fluoroquinolone - N-arylpiperazine - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Fluorobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Benzenoid - Pyridine - Piperazine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Vinylogous amide - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Amino acid - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Hydrochloride - Amine - Organic oxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
• 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