Ethopabate - ≥98% , CAS No.59-06-3

CAS: 59-06-3 Cat. No.: E489623 Peso molecular: 237.25 Beilstein Registry Number: 2808914 Número EC: 200-414-3

GRADE & PURITY ≥98%

Synonyms

ETHOPABATE [USP MONOGRAPH] | NCGC00160624-01 | Benzoic acid, 4-(acetylamino)-2-ethoxy-, methyl ester | DTXCID4026264 | Amprol Plus (veterinary) | ETHOPABATE [MI] | NCGC00160624-04 | SY226309 | Methyl 4-(acetylamino)-2-ethoxybenzoate | CHEBI:183844 | Ethop

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets have been developed and issued under the Authority of the issuing Pharmacopoeia. For further information and support please go to the website of the issuing Pharmacopoeia.

Ethopabate is an antibiotic used as a coccidiostat in poultry feeds.

Application：

Ethopabate may be used as a reference standard in the determination of ethopabate in feed samples using solid phase extraction with high performance liquid chromatography (SPE-HPLC).

Specifications

Sinónimos

ETHOPABATE [USP MONOGRAPH] | NCGC00160624-01 | Benzoic acid, 4-(acetylamino)-2-ethoxy-, methyl ester | DTXCID4026264 | Amprol Plus (veterinary) | ETHOPABATE [MI] | NCGC00160624-04 | SY226309 | Methyl 4-(acetylamino)-2-ethoxybenzoate | CHEBI:183844 | Ethop

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488179991
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179991
• Sonrisas canónicas: CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)OC
• IUPAC Name: methyl 4-acetamido-2-ethoxybenzoate
• InChIKey: GOVWOKSKFSBNGD-UHFFFAOYSA-N
• INCHI: 1S/C12H15NO4/c1-4-17-11-7-9(13-8(2)14)5-6-10(11)12(15)16-3/h5-7H,4H2,1-3H3,(H,13,14)
• Isómeros SMILES: CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)OC
• WGK Alemania: 3
• Peso molecular: 237.25
• Beilstein: 2808914
• Reaxy-Rn: 2808914
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2808914&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acylaminobenzoic acid and derivatives
• Alternative Parents: Benzoic acid esters Acetanilides N-acetylarylamines Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Methyl esters Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acylaminobenzoic acid or derivatives - Acetanilide - Benzoate ester - N-acetylarylamine - Anilide - Phenoxy compound - Benzoyl - Phenol ether - N-arylamide - Alkyl aryl ether - Acetamide - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
• 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

Objetivos asociados (humanos)

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

NA Neuraminidase (1107 Activities)

Discover Target: NA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Punto de fusión (°C): 148.5 °C
• Peso molecular: 237.250 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 237.1 Da
• Monoisotopic Mass: 237.1 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 280.000
• 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