3-Methylquinoxaline-2-carboxylic Acid - ≥95% , CAS No.74003-63-7

CAS: 74003-63-7 Cat. No.: M136765 Molecular Weight: 188.183 EC Number: 635-366-6

GRADE & PURITY ≥95%

Synonyms

A917111 | FT-0672133 | SCHEMBL2056931 | 3-methylquinoxaline-2-carboxylicacid | EN300-226768 | 3-Methyl-2-quinoxalinecarboxylic acid | MFCD03840415 | AG-0701 | C76365 | 2-Quinoxalinecarboxylic acid, 3-methyl- | 3-Methyl-quinoxaline-2-carboxylic acid 100 mi

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

3-Methylquinoxaline-2-carboxylic Acid is a Carbadox and Olaquindox metabolite.
A Carbadox and Olaquindox metabolite.

Specifications

Synonyms

A917111 | FT-0672133 | SCHEMBL2056931 | 3-methylquinoxaline-2-carboxylicacid | EN300-226768 | 3-Methyl-2-quinoxalinecarboxylic acid | MFCD03840415 | AG-0701 | C76365 | 2-Quinoxalinecarboxylic acid, 3-methyl- | 3-Methyl-quinoxaline-2-carboxylic acid 100 mi

Specifications & Purity

≥95%

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.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC1=NC2=CC=CC=C2N=C1C(=O)O
• IUPAC Name: 3-methylquinoxaline-2-carboxylic acid
• InChIKey: BJPNADFNSANIPF-UHFFFAOYSA-N
• INCHI: 1S/C10H8N2O2/c1-6-9(10(13)14)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3,(H,13,14)
• Isomeric SMILES: CC1=NC2=CC=CC=C2N=C1C(=O)O
• Molecular Weight: 188.183
• Reaxy-Rn: 154374
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=154374&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Pyrazine carboxylic acids Benzenoids Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Pyrazine carboxylic acid - Pyrazine carboxylic acid or derivatives - Benzenoid - Pyrazine - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
• 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: Soluble in Dichloromethane, DMSO, and Methanol.
• Molecular Weight: 188.180 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 188.059 Da
• Monoisotopic Mass: 188.059 Da
• Topological Polar Surface Area: 63.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 232.000
• Isotope Atom Count: 0
• 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

References

1. Yiwei Tang, He Meng, Wenxiu Wang, Yang Song, Shuo Wang, Zhuanying Li, Xianghong Wang, Xuelian Hu.  (2023)  Off-line magnetic Fe3O4@SiO2@MIPs-based solid phase dispersion extraction coupling with HPLC for the simultaneous determination of olaquindox and its metabolite in fish muscle and milk samples.  Food Chemistry-X,      [PMID:36974171] [10.1016/j.fochx.2023.100611]