γ-Hydroxy Phenylbutazone - ≥95% , CAS No.568-76-3

CAS: 568-76-3 Cat. No.: H353093 Formule: C₁₉H₂₀N₂O₃ Poids moléculaire: 324.37

GRADE & PURITY ≥95%

Synonyms

G 28231 | 4-(3-Hydroxybutyl)-1,2-diphenyl-3,5-pyrazolidinedione | 1,2-Diphenyl-3,5-dioxo-4-(3-hydroxybutyl)pyrazolidine | A-Hydroxy Phenylbutazone | FT-0669535 | DTXSID50972248 | 3,5-Pyrazolidinedione, 1,2-diphenyl-4-(3-hydroxybutyl)- | BRN 0309214 | gamm

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Vue d’ensemble

γ-Hydroxy Phenylbutazone is a metabolite of Kebuzone and a antirheumatic.

Specifications

Synonymes

G 28231 | 4-(3-Hydroxybutyl)-1,2-diphenyl-3,5-pyrazolidinedione | 1,2-Diphenyl-3,5-dioxo-4-(3-hydroxybutyl)pyrazolidine | A-Hydroxy Phenylbutazone | FT-0669535 | DTXSID50972248 | 3,5-Pyrazolidinedione, 1,2-diphenyl-4-(3-hydroxybutyl)- | BRN 0309214 | gamm

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 528768897
• Sourires canoniques: CC(CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)O
• IUPAC Name: 4-(3-hydroxybutyl)-1,2-diphenylpyrazolidine-3,5-dione
• InChIKey: PPJYQSFRNGSEBH-UHFFFAOYSA-N
• INCHI: 1S/C19H20N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,14,17,22H,12-13H2,1H3
• Isomères SMILES: CC(CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)O
• Poids moléculaire: 324.37
• Reaxy-Rn: 309214
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=309214&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Pyrazolidinones 1,3-dicarbonyl compounds Secondary alcohols Carboxylic acid hydrazides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Pyrazolidinone - 1,3-dicarbonyl compound - Pyrazolidine - Carboxylic acid hydrazide - Secondary alcohol - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of 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

Propriétés chimiques et physiques

• Solubilité: Chloroform (Slightly), Methanol (Slightly)
• Point de fusion (°C): 53-55° C
• Poids moléculaire: 324.400 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 324.147 Da
• Monoisotopic Mass: 324.147 Da
• Topological Polar Surface Area: 60.900 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 420.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1