ChemicalBook--->CAS DataBase List--->170570-01-1

170570-01-1

170570-01-1 Structure

170570-01-1 Structure
IdentificationBack Directory
[Name]

4-DesMethyl-3-Methyl Celecoxib
[CAS]

170570-01-1
[Synonyms]

Celecoxib-1
Celecoxib-001
Celecoxib EP Imp A
Celecoxib meta-isomer
Celecoxib EP IMpurity A
Celecoxib impurity A CRS
Celecoxib ImpurityABCDEFGHI
Celecoxib Related CoMpound A
4-bromo-3H-2-benzofuran-1-one
4-DesMethyl-3-Methyl Celecoxib
Celecoxib EP Impurity A(USP RC A)
4-(5-(m-tolyl)-3-(trifluoromethyl)
4-[5-(3-Methylphenyl)-3-(trifluorom
Celecoxib Impurity 3(EP Impurity A)
Celecoxib Impurity E: 3-methylcelecoxib
Celecoxib Impurity 3(Celecoxib EP Impurity A)
4-(5-(m-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl) benzenesulfonamide
4-[5-(3-Methylphenyl)-3-trifluoroMethyl-1H-pyrazol-1-yl]benzenesulfonaMide
4-[5-(3-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide
Benzenesulfonamide, 4-[5-(3-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-
Celecoxib EP Impurity A/ Celecoxib Related Compound A (Celecoxib 3-Methyl Analog)
Celecoxib Related Compound A (10 mg) (4-[5-(3-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide)
Celecoxib impurity 1/Celecoxib EP Impurity A/Celecoxib 3-Methyl Analog/4-[5-(3-Methylphenyl)-3-trifluoromethyl-1H-pyrazol-1-yl]benzenesulfonamide
[Molecular Formula]

C17H14F3N3O2S
[MOL File]

170570-01-1.mol
[Molecular Weight]

381.37
Chemical PropertiesBack Directory
[Melting point ]

137-139°C
[Boiling point ]

524.3±60.0 °C(Predicted)
[density ]

1.43±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

DMSO (Sparingly), Ethanol (Slightly), Methanol (Slightly)
[form ]

neat
[pka]

9.68±0.10(Predicted)
[color ]

White to Pale Yellow
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/C17H14F3N3O2S/c1-11-3-2-4-12(9-11)15-10-16(17(18,19)20)22-23(15)13-5-7-14(8-6-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
[InChIKey]

MPVPOTMPKLOUHZ-UHFFFAOYSA-N
[SMILES]

FC(F)(F)c1n[n](c(c1)c3cc(ccc3)C)c2ccc(cc2)[S](=O)(=O)N
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

2935909550
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

4-Desmethyl-3-methyl Celecoxib is a meta positional isomer of Celecoxib (C251000) with selective inhibitory activity against human cyclooxygenase-2. USP Celecoxib Related Compound A
[Uses]

A meta positional isomer of Celecoxib (C251000) with selective inhibitory activity against human cyclooxygenase-2.
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