4-DesMethyl-3-Methyl Celecoxib
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4-DesMethyl-3-Methyl Celecoxib
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CAS No:
170570-01-1
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Formula:
C17H14F3N3O2S
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Chemical Name:
4-DesMethyl-3-Methyl Celecoxib
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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
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CAS No:
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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