5-Bromo-4'-chlorosalicylanilide - ≥98%(T) , CAS No.3679-64-9

CAS: 3679-64-9 Cat. No.: B152332 Formula: C₁₃H₉BrClNO₂ Peso molecolare: 326.57 Numero EC: 222-957-5

GRADE & PURITY ≥98%(T)

Synonyms

Q4973727 | SR-01000872604-2 | BCP24289 | AMY41396 | AS-66607 | Salicylanilide, 5-bromo-4'-chloro- | AC-27860 | MFCD00039236 | EINECS 222-957-5 | Benzamide, 5-bromo-N-(4-chlorophenyl)-2-hydroxy- | BROMOSALICYCHLORANILIDINE | clobromsalan | trimethoxymethyl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Multifungin (Bromochlorosalicylanilide) is an antifungal that treats oral candidiasis. Multifungin prevents the formation and accumulation of Zearalenone and reduces the fungal population in stored-crushed corn.

Specifications

Sinonimi

Q4973727 | SR-01000872604-2 | BCP24289 | AMY41396 | AS-66607 | Salicylanilide, 5-bromo-4'-chloro- | AC-27860 | MFCD00039236 | EINECS 222-957-5 | Benzamide, 5-bromo-N-(4-chlorophenyl)-2-hydroxy- | BROMOSALICYCHLORANILIDINE | clobromsalan | trimethoxymethyl

Specifiche e purezza

≥98%(T)

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥98%(T)

Nomi e identificatori

Pubchem Sid

504755157

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755157

Sorrisi canonici

C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Br)O)Cl

IUPAC Name

5-bromo-N-(4-chlorophenyl)-2-hydroxybenzamide

InChIKey

QBSGXIBYUQJHMJ-UHFFFAOYSA-N

INCHI

1S/C13H9BrClNO2/c14-8-1-6-12(17)11(7-8)13(18)16-10-4-2-9(15)3-5-10/h1-7,17H,(H,16,18)

Isomeri SMILES

C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Br)O)Cl

Peso molecolare

326.57

Reaxy-Rn

2812319

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2812319&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Salicylamides 3-halobenzoic acids and derivatives Benzamides P-bromophenols Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Vinylogous acids Secondary carboxylic acid amides Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Salicylamide - Salicylic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - 4-bromophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Bromobenzene - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Aryl bromide - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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)

ADRB1 Tclin Adrenergic receptor beta (1214 Activities)

Discover Target: ADRB1

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

Obiettivi associati (non umani)

Bifunctional dihydrofolate reductase-thymidylate synthase (22 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility in hot Acetone：almost transparency
• Punto di fusione (°C): 246 °C
• Peso molecolare: 326.570 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 324.951 Da
• Monoisotopic Mass: 324.951 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 295.000
• 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