Furalaxyl (Standard) , CAS No.57646-30-7

CAS: 57646-30-7 Cat. No.: F1419617 Molecular Weight: 301.34 Beilstein Registry Number: 6427785 EC Number: 260-875-1 PubChem CID: 42504

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Furalaxyl (Standard) is the analytical standard of Furalaxyl. This product is intended for research and analytical applications. Furalaxyl (CGA 38140) is a potent fungicide. Furalaxyl is highly selective to fungi of the order of the Peronosporales.

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)C)N(C(C)C(=O)OC)C(=O)C2=CC=CO2
• IUPAC Name: methyl 2-[N-(furan-2-carbonyl)-2,6-dimethylanilino]propanoate
• InChIKey: CIEXPHRYOLIQQD-UHFFFAOYSA-N
• INCHI: 1S/C17H19NO4/c1-11-7-5-8-12(2)15(11)18(13(3)17(20)21-4)16(19)14-9-6-10-22-14/h5-10,13H,1-4H3
• Isomeric SMILES: CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)C2=CC=CO2
• WGK Germany: 2
• RTECS: AY6320000
• PubChem CID: 42504
• Molecular Weight: 301.34
• Beilstein: 6427785

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Furanilides
            • Level7 2-furanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides - Furanilides
• Direct Parent: 2-furanilides
• Alternative Parents: Alpha amino acid esters Alanine and derivatives m-Xylenes Furoic acid and derivatives 2-heteroaryl carboxamides Tertiary carboxylic acid amides Methyl esters Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-furanilide - Alpha-amino acid ester - Alanine or derivatives - Alpha-amino acid or derivatives - 2-heteroaryl carboxamide - Furoic acid or derivatives - M-xylene - Xylene - Furan - Tertiary carboxylic acid amide - Methyl ester - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-furanilides. These are aromatic heterocyclic compounds contaning a furan ring that is substituted at the 2-position with an anilide.
• External Descriptors: Amide fungicides

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