MCPA-d3 , CAS No.352431-14-2

CAS: 352431-14-2 Cat. No.: M646538 Molecular Weight: 203.64

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

MCPA-d 3 is the deuterium labeled MCPA.MCPA is a phenoxy herbicide, and widely used to control annual and perennial broad leaved weeds, including poppy, thistles and docks, in crops such as cereals, rice, linseed, flax, grassland and turf.

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. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Biochemical and Physiological Mechanisms

MCPA-d 3 is the deuterium labeled MCPA. MCPA is a phenoxy herbicide, and widely used to control annual and perennial broad leaved weeds, including poppy, thistles and docks, in crops such as cereals, rice, linseed, flax, grassland and turf.

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)Cl)OCC(=O)O
• IUPAC Name: 2-(4-chloro-2,3,5-trideuterio-6-methylphenoxy)acetic acid
• InChIKey: WHKUVVPPKQRRBV-NRUYWUNFSA-N
• INCHI: 1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)/i2D,3D,4D
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1OCC(=O)O)C)[2H])Cl)[2H]
• Molecular Weight: 203.64
• Reaxy-Rn: 2051752
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2051752&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Toluenes Chlorobenzenes Alkyl aryl ethers Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• 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