Celecoxib Impurity
- CAS NO.：170570-09-9
- Empirical Formula: C18H16F3N3O2S
- Molecular Weight: 395.4
- MDL number: MFCD28954796
- Update Date: 2026-01-13 11:25:21
What is Celecoxib Impurity?
The Uses of Celecoxib Impurity
2-Methyl-Celecoxib is an analog of the anti-inflammatory drug Celecoxib (C251000). Celecoxib is a selective cyclooxygenase-2 (COX-2) inhibitor.
The Uses of Celecoxib Impurity
Celecoxib Impurity is also called 2-Methyl-Celecoxib, which is an impurity of the drug Celecoxib. It can be used as an impurity reference for testing the quality of drugs, and is often used in pharmaceutical production.
Properties of Celecoxib Impurity
| Boiling point: | 521.9±60.0 °C(Predicted) |
| Density | 1.40±0.1 g/cm3(Predicted) |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| pka | 9.68±0.10(Predicted) |
| form | Solid |
| color | Off-White to Pale Beige |
| 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) |
Safety information for Celecoxib Impurity
Computed Descriptors for Celecoxib Impurity
| 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 |
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