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

CAS: 568-76-3 Cat. No.: H353093 분자식: C₁₉H₂₀N₂O₃ 분자량: 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

개요

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

Specifications

동의어

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

사양 및 순도

≥95%

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥95%

이름과 식별자

• Pubchem Sid: 528768897
• 정식 스마일: 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
• 이성체 SMILES: CC(CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)O
• 분자량: 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
    • 분류 Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Chloroform (Slightly), Methanol (Slightly)
• 녹는점(°C): 53-55° C
• 분자량: 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