Toltrazuril sulfoxide (Standard) , CAS No.69004-15-5

CAS: 69004-15-5 Cat. No.: T1420395 Molecular Weight: 441.38 EC Number: 890-075-3 PubChem CID: 10297065

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Toltrazuril sulfoxide (Standard) is the analytical standard of Toltrazuril sulfoxide. This product is intended for research and analytical applications. Toltrazuril sulfoxide is a short-lived intermediary metabolite of Toltrazuril , and then can be metabolized to the reactive toltrazuril sulfone (TZR-SO2) in vivo. Toltrazuril is an antiprotozoal agent that acts upon Coccidia parasites.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: CC1=C(C=CC(=C1)N2C(=O)NC(=O)N(C2=O)C)OC3=CC=C(C=C3)S(=O)C(F)(F)F
• IUPAC Name: 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfinyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione
• InChIKey: QWKYIPKCLAUFCM-UHFFFAOYSA-N
• INCHI: 1S/C18H14F3N3O5S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)29-12-4-6-13(7-5-12)30(28)18(19,20)21/h3-9H,1-2H3,(H,22,25,26)
• Isomeric SMILES: CC1=C(C=CC(=C1)N2C(=O)NC(=O)N(C2=O)C)OC3=CC=C(C=C3)S(=O)C(F)(F)F
• PubChem CID: 10297065
• Molecular Weight: 441.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenyl sulfoxides Phenoxy compounds Phenol ethers Triazinones Toluenes 1,3,5-triazines Heteroaromatic compounds Ureas Trihalomethanes Sulfoxides Sulfinyl compounds Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Alkyl fluorides Organic oxides Organofluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenyl sulfoxide - Phenoxy compound - Phenol ether - Toluene - Triazinone - Triazine - 1,3,5-triazine - Heteroaromatic compound - Sulfoxide - Trihalomethane - Urea - Organoheterocyclic compound - Sulfinyl compound - Azacycle - Ether - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alkyl fluoride - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Organic nitrogen compound - Halomethane - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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