Suxibuzone - ≥97% , CAS No.27470-51-5

CAS: 27470-51-5 Cat. No.: S348158 Formule: C₂₄H₂₆N₂O₆ Poids moléculaire: 438.47 Numéro CE: 248-477-6 PubChem CID: 5362

GRADE & PURITY ≥97%

Synonyms

Suxibuzona [INN-Spanish] | SUXIBUZONE [WHO-DD] | UNII-86TDZ5WP2B | 4-Butyl-4-(hydroxymethyl)-1,2-diphenyl-3,5-pyrazolidinedione hydrogen succinate (ester) | Aflogan | Butanedioic acid, mono((4-butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methyl) ester | D

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Suxibuzone is a prodrug of the non steroidal anti inflammatory drug phenylbutazone.

Specifications

Synonymes

Suxibuzona [INN-Spanish] | SUXIBUZONE [WHO-DD] | UNII-86TDZ5WP2B | 4-Butyl-4-(hydroxymethyl)-1,2-diphenyl-3,5-pyrazolidinedione hydrogen succinate (ester) | Aflogan | Butanedioic acid, mono((4-butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methyl) ester | D

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

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

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504750879

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750879

Sourires canoniques

CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CCC(=O)O

IUPAC Name

4-[(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methoxy]-4-oxobutanoic acid

InChIKey

ONWXNHPOAGOMTG-UHFFFAOYSA-N

INCHI

1S/C24H26N2O6/c1-2-3-16-24(17-32-21(29)15-14-20(27)28)22(30)25(18-10-6-4-7-11-18)26(23(24)31)19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3,(H,27,28)

Isomères SMILES

CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CCC(=O)O

WGK Allemagne

3

RTECS

WM9640000

PubChem CID

5362

Poids moléculaire

438.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Pyrazolidinones Dicarboxylic acids and derivatives Benzene and substituted derivatives Carboxylic acid hydrazides Carboxylic acid esters Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyrazolidinone - Benzenoid - Pyrazolidine - Carboxylic acid ester - Carboxylic acid hydrazide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• External Descriptors: monocarboxylic acid - pyrazolidines

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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Chloroform (Slightly), Methanol (Slightly)
• Point de fusion (°C): 123-126°C
• Poids moléculaire: 438.500 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 438.179 Da
• Monoisotopic Mass: 438.179 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 661.000
• 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