GRADE & PURITY ≥98%

Synonyms

Lobenzarit sodium | 7Z9SP74BXF | DTXCID5028532 | AC-26450 | disodium 2-[(2-carboxylatophenyl)amino]-4-chlorobenzoate | Lobenzarit disodium salt | disodium;2-(2-carboxylatoanilino)-4-chlorobenzoate | UNII-7Z9SP74BXF | AKOS025311428 | DTXSID8048606 | Lobenz

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Lobenzarit sodiumis an anti-rheumatic agent.

Specifications

Sinónimos

Lobenzarit sodium | 7Z9SP74BXF | DTXCID5028532 | AC-26450 | disodium 2-[(2-carboxylatophenyl)amino]-4-chlorobenzoate | Lobenzarit disodium salt | disodium;2-(2-carboxylatoanilino)-4-chlorobenzoate | UNII-7Z9SP74BXF | AKOS025311428 | DTXSID8048606 | Lobenz

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C(=C1)C(=O)[O-])NC2=C(C=CC(=C2)Cl)C(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;2-(2-carboxylatoanilino)-4-chlorobenzoate
• InChIKey: QPJBONAWFAURGB-UHFFFAOYSA-L
• INCHI: 1S/C14H10ClNO4.2Na/c15-8-5-6-10(14(19)20)12(7-8)16-11-4-2-1-3-9(11)13(17)18;;/h1-7,16H,(H,17,18)(H,19,20);;/q;2*+1/p-2
• Isómeros SMILES: C1=CC=C(C(=C1)C(=O)[O-])NC2=C(C=CC(=C2)Cl)C(=O)[O-].[Na+].[Na+]
• RTECS: DG4975520
• Peso molecular: 335.65
• Reaxy-Rn: 5370438
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5370438&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Aminobenzoic acids and derivatives
          • Level6 Aminobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Aminobenzoic acids and derivatives
• Direct Parent: Aminobenzoic acids
• Alternative Parents: 4-halobenzoic acids Halobenzoic acids Benzoic acids Aniline and substituted anilines Benzoyl derivatives Chlorobenzenes Dicarboxylic acids and derivatives Aryl chlorides Vinylogous amides Carboxylic acid salts Amino acids Organic metal halides Carboxylic acids Secondary amines Organic sodium salts Organic oxides Hydrocarbon derivatives Organopnictogen compounds Organochlorides Organooxygen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-halobenzoic acid or derivatives - Aminobenzoic acid - Halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Dicarboxylic acid or derivatives - Aryl halide - Aryl chloride - Vinylogous amide - Carboxylic acid salt - Amino acid or derivatives - Amino acid - Organic metal halide - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Secondary amine - Organic salt - Organic sodium salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
• 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 (no humanos)

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

• Solubilidad: Soluble in water; Very slightly soluble in Methanol; Insoluble in Acetone,Ether,Tetrahydrofuran
• Sensibilidad: Light sensitive;Hygroscopic
• Punto de fusión (°C): 388 °C(dec.)
• Peso molecular: 335.650 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 334.994 Da
• Monoisotopic Mass: 334.994 Da
• Topological Polar Surface Area: 92.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 365.000
• 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: 3

XLogP3