ChemicalBook--->CAS DataBase List--->170570-09-9

170570-09-9

170570-09-9 Structure

170570-09-9 Structure
IdentificationBack Directory
[Name]

Celecoxib Impurity
[CAS]

170570-09-9
[Synonyms]

Celecoxib-14
Celecoxib-003
Celecoxib Impurity
Celecoxib 2,4-Dimethyl
4-(5-(2,4-dimethylphenyl)
Celecoxib Impurity C: 2,3-dimethylcelecoxib
Celecoxib Impurity 7 (2,4 Dimethyl celecoxib)
4-[5-(2,4-Dimethyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-...
Benzenesulfonamide,4-[5-(2,4-dimethylphenyl)-3-(trifluoromet...
4-[5-(2,4-Dimethyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
4-(5-(2,4-dimethylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
Benzenesulfonamide, 4-[5-(2,4-dimethylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-
[Molecular Formula]

C18H16F3N3O2S
[MDL Number]

MFCD28954796
[MOL File]

170570-09-9.mol
[Molecular Weight]

395.4
Chemical PropertiesBack Directory
[Boiling point ]

521.9±60.0 °C(Predicted)
[density ]

1.40±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

9.68±0.10(Predicted)
[color ]

Off-White to Pale Beige
[Major Application]

pharmaceutical
[InChI]

InChI=1S/C18H16F3N3O2S/c1-11-3-8-15(12(2)9-11)16-10-17(18(19,20)21)23-24(16)13-4-6-14(7-5-13)27(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
[InChIKey]

CDMHSMOZNZFYIK-UHFFFAOYSA-N
[SMILES]

C1(S(N)(=O)=O)=CC=C(N2C(C3=CC=C(C)C=C3C)=CC(C(F)(F)F)=N2)C=C1
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

2933194350
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

2-Methyl-Celecoxib is an analog of the anti-inflammatory drug Celecoxib (C251000). Celecoxib is a selective cyclooxygenase-2 (COX-2) inhibitor.
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