Olaquindox - analytical standard , CAS No.23696-28-8

CAS: 23696-28-8 Cat. No.: O114351 Formula: C₁₂H₁₃N₃O₄ Peso molecolare: 263.25 Numero EC: 245-832-7

QUALITÀ & PUREZZA Analytical standard

Synonyms

DL-Alanine, N-acetyl-|Olaquindox [BAN:INN]|2-(2-hydroxyethylcarbamoyl)-3-methylquinoxaline 1,4-dioxide|p-Mentha-6,8-dien-2-yl propionate|Ethyl 2-hydroxypropionate|Olaquindox|OLAQUINDOX [MI]|BAY Va 9391|OLAQUINDOX [HSDB]|2-methyl valeric acid|2-(N-(2-Hydroxyethyl)carbamoyl)-3-methylquinoxaline1,4-dioxide|OLAQUINDOX [INN]|Bisergon|Bayonox|phosphoribosylpyrophosphate|Ethyl 2,2-dimethylacetate|2-((2-Hydroxyethyl)carbamoyl)-3-methylquinoxaline 1,4-dioxide|N-(2-Hydroxyethyl)-3-methyl-2-quinoxalinecarboxamide 1,4-dioxide|Olachindox|1,4-Dihydroxy-N-(2-hydroxyethyl)-3-methyl-1.lambda.~5~,4.lambda.~5~-quinoxaline-2-carboxamide|Bayernox|OLAQUINDOX [MART.]|2-[(2-hydroxyethyl)carbamoyl]-3-methyl-1-oxo-1,4-dihydro-1|Olaquindox (INN)|Olaquindox [veterinary] (TN)|N-(2-hydroxyethyl)-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide|Fast Red Base B

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

DL-Alanine, N-acetyl- | Olaquindox [BAN:INN] | 2-(2-hydroxyethylcarbamoyl)-3-methylquinoxaline 1,4-dioxide | p-Mentha-6,8-dien-2-yl propionate | Ethyl 2-hydroxypropionate | Olaquindox | OLAQUINDOX [MI] | BAY Va 9391 | OLAQUINDOX [HSDB] | 2-methyl valeric acid | 2-(N-(2-Hydroxyethyl)carbamoyl)-3-methylquinoxaline1,4-dioxide | OLAQUINDOX [I Mostra altro

Specifiche e purezza

analytical standard

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Standard analitico

Nomi e identificatori

Sorrisi canonici

CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)NCCO

IUPAC Name

N-(2-hydroxyethyl)-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide

InChIKey

TURHTASYUMWZCC-UHFFFAOYSA-N

INCHI

1S/C12H13N3O4/c1-8-11(12(17)13-6-7-16)15(19)10-5-3-2-4-9(10)14(8)18/h2-5,16H,6-7H2,1H3,(H,13,17)

Isomeri SMILES

CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)NCCO

Peso molecolare

263.25

Reaxy-Rn

758489

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=758489&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Alpha amino acids and derivatives N-acylethanolamines Benzenoids Vinylogous amides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Aminoxides Primary alcohols Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Quinoxaline - N-acylethanolamine - Benzenoid - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Alkanolamine - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Aminoxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Carbonyl group - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound
• Descrizione: 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

Obiettivi associati (umani)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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Obiettivi associati (non umani)

Enterobacter cloacae (7976 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Escherichia coli (133304 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 209°C
• Peso molecolare: 263.250 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 263.091 Da
• Monoisotopic Mass: 263.091 Da
• Topological Polar Surface Area: 95.700 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 421.000
• 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