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Home > Encyclopedia > N-De(4-sulfonaMidophenyl)-N'-(4-sulfonaMidophenyl) Celecoxib

N-De(4-sulfonaMidophenyl)-N'-(4-sulfonaMidophenyl) Celecoxib

N-De(4-sulfonaMidophenyl)-N'-(4-sulfonaMidophenyl) Celecoxib structure

N-De(4-sulfonaMidophenyl)-N'-(4-sulfonaMidophenyl) Celecoxib 

structure
  • CAS No:

    331943-04-5

  • Formula:

    C17H14F3N3O2S

  • Chemical Name:

    N-De(4-sulfonaMidophenyl)-N'-(4-sulfonaMidophenyl) Celecoxib

  • Synonyms:

    N-De(4-sulfonaMidophenyl)-N'-(4-sulfonaMidophenyl) Celecoxib;4-[3-(4-Methylphenyl)-5-(trifluoroMethyl)-1H-pyrazol-1-yl]benzenesulfonaMide;BenzenesulfonaMide, 4-[3-(4-Methylphenyl)-5-(trifluoroMethyl)-1H-pyrazol-1-yl]-;Celecoxib Related CoMpound B;Celecoxib Related Compound B (10 mg) (4-[3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide)

  • Categories:

    Analytical Chemistry  >  Standard

Description

Off-White Solid

N-De(4-sulfonaMidophenyl)-N'-(4-sulfonaMidophenyl) Celecoxib Basic Attributes

381.3721696

381.07600

DTXSID10433269

2935909550

Characteristics

86.36000

5.29500

1.43±0.1 g/cm3(Predicted)

Safety Information

NONH for all modes of transport

P264, P270, P301+P312, P330, P501

H302

N-De(4-sulfonaMidophenyl)-N'-(4-sulfonaMidophenyl) Celecoxib Use and Manufacturing

An isomeric impurity of Celecoxib (C251000) with selective inhibitory activity against human cyclooxygenase-2.

Computed Properties

Molecular Weight:381.4
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:381.07588236
Monoisotopic Mass:381.07588236
Topological Polar Surface Area:86.4
Heavy Atom Count:26
Complexity:577
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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