PNU 177864 hydrochloride - ≥99%(HPLC) , CAS No.1783978-03-9

CAS: 1783978-03-9 Cat. No.: P287274 Peso molecular: 438.89 PubChem CID: 56972219

GRADE & PURITY ≥99%(HPLC)

Synonyms

FH43729Z9T | UNII-FH43729Z9T | 1783978-03-9 | Benzenesulfonamide, N-(4-(2-(propylamino)ethyl)phenyl)-4-(trifluoromethoxy)-, hydrochloride (1:1) | N-[4-[2-(Propylamino)ethyl)phenyl]-4-(trifluoromethoxy)-benzenesulfonamidehydrochloride | PNU 177864 HYDROCHL

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

FH43729Z9T | UNII-FH43729Z9T | 1783978-03-9 | Benzenesulfonamide, N-(4-(2-(propylamino)ethyl)phenyl)-4-(trifluoromethoxy)-, hydrochloride (1:1) | N-[4-[2-(Propylamino)ethyl)phenyl]-4-(trifluoromethoxy)-benzenesulfonamidehydrochloride | PNU 177864 HYDROCHL

Especificaciones y pureza

≥99%(HPLC)

Mecanismos bioquímicos y fisiológicos

Highly selective dopamine D3receptor antagonist. Induces phospholipidosis and exhibits antischizophrenic activityin vivo.

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

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

ANTAGONIST

Pureza

≥99%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CCCNCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F.Cl
• IUPAC Name: N-[4-[2-(propylamino)ethyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride
• InChIKey: UOMDLHQTLPWCCE-UHFFFAOYSA-N
• INCHI: 1S/C18H21F3N2O3S.ClH/c1-2-12-22-13-11-14-3-5-15(6-4-14)23-27(24,25)17-9-7-16(8-10-17)26-18(19,20)21;/h3-10,22-23H,2,11-13H2,1H3;1H
• Isómeros SMILES: CCCNCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F.Cl
• PubChem CID: 56972219
• Peso molecular: 438.89

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds Phenethylamines Phenol ethers Phenoxy compounds Aralkylamines Organosulfonamides Aminosulfonyl compounds Trihalomethanes Dialkylamines Organooxygen compounds Organofluorides Organic oxides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Sulfanilide - Phenethylamine - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Aralkylamine - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Trihalomethane - Secondary aliphatic amine - Secondary amine - Alkyl fluoride - Hydrochloride - Hydrocarbon derivative - Halomethane - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
• 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

Propiedades químicas y físicas

• Solubilidad: Solvent:water, Max Conc. mg/mL: 8.78, Max Conc. mM: 20; Solvent:DMSO, Max Conc. mg/mL: 43.89, Max Conc. mM: 100
• Peso molecular: 438.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 438.099 Da
• Monoisotopic Mass: 438.099 Da
• Topological Polar Surface Area: 75.800 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 521.000
• 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: 2

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