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Home > Encyclopedia > 4-DesMethyl-3-Methyl Celecoxib

4-DesMethyl-3-Methyl Celecoxib

4-DesMethyl-3-Methyl Celecoxib structure

4-DesMethyl-3-Methyl Celecoxib 

structure
  • CAS No:

    170570-01-1

  • Formula:

    C17H14F3N3O2S

  • Chemical Name:

    4-DesMethyl-3-Methyl Celecoxib

  • Synonyms:

    Celecoxib EP IMpurity A;Celecoxib Related Compound A (10 mg) (4-[5-(3-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide);4-[5-(3-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide;4-bromo-3H-2-benzofuran-1-one;4-DesMethyl-3-Methyl Celecoxib;4-[5-(3-Methylphenyl)-3-trifluoroMethyl-1H-pyrazol-1-yl]benzenesulfonaMide;Celecoxib Related CoMpound A

  • Categories:

    Analytical Chemistry  >  Standard

4-DesMethyl-3-Methyl Celecoxib Basic Attributes

381.3721696

381.07600

DTXSID60436720

2935909550

Characteristics

86.36000

5.29500

1.43±0.1 g/cm3(Predicted)

524.3±60.0 °C(Predicted)

Safety Information

NONH for all modes of transport

4-DesMethyl-3-Methyl Celecoxib Use and Manufacturing

A meta positional isomer 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:585
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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