Salfluverine , CAS No.587-49-5

CAS: 587-49-5 Cat. No.: S667945 Fórmula: C₁₄H₁₀F₃NO₂ Peso molecular: 281.23 PubChem CID: 68519

Synonyms

Salfluverine | 2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide | GAK955D9Q5 | 2-Hydroxy-N-(3-(trifluoromethyl)phenyl)benzamide | Benzamide, 2-hydroxy-N-(3-(trifluoromethyl)phenyl)- | Benzamide, 2-hydroxy-N-[3-(trifluoromethyl)phenyl]- | Salfluverina [INN

Storage

Room temperature

Specifications

Sinónimos

Salfluverine | 2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide | GAK955D9Q5 | 2-Hydroxy-N-(3-(trifluoromethyl)phenyl)benzamide | Benzamide, 2-hydroxy-N-(3-(trifluoromethyl)phenyl)- | Benzamide, 2-hydroxy-N-[3-(trifluoromethyl)phenyl]- | Salfluverina [INN

Condições de armazenamento de armazenamento

Room temperature

Propriedades do produto

• ALogP: 4.2

Nomes e identificadores

• Sorrisos canónicos: C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)O
• IUPAC Name: 2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
• InChIKey: WQDAVGDBWHWDSC-UHFFFAOYSA-N
• INCHI: 1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-13(20)11-6-1-2-7-12(11)19/h1-8,19H,(H,18,20)
• SMILES isoméricas: C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)O
• PubChem CID: 68519
• Peso molecular: 281.23

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: Trifluoromethylbenzenes Salicylamides Benzamides Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Secondary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Trifluoromethylbenzene - Salicylamide - Salicylic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Aromatic homomonocyclic compound
• Descrição: 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

Alvos associados (humanos)

P2RX1 Tchem P2X purinoceptor 1 (1 Activities)

Discover Target: P2RX1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 281.230 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 281.066 Da
• Monoisotopic Mass: 281.066 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 346.000
• 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

Perguntas frequentes

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 587-49-5, the molecular formula is C14H10F3NO2, and the molecular weight is 281.23 g/mol. InChIKey WQDAVGDBWHWDSC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.