Lumiracoxib
An amino acid that is phenylacetic acid which is substituted at position 2 by the nitrogen of 2-chloro-6-fluoroaniline and at position 5 by a methyl group. A highly selective cyclooxygenase 2 inhibitor, it was briefly used for the treatment of osteoarthritis, but was withdrawn due to concersns of hepatotoxicity. — ChEBI
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Identity & molecular properties
Source-linked values| CAS number | 220991-20-8 | ChEBI ↗ |
| Molecular formula | C15H13ClFNO2 | ChEBI ↗ |
| Molar mass | 293.725 g/mol | ChEBI ↗ |
| Monoisotopic mass | 293.06188 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:73044 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 293.72 g/mol | PubChem ↗ |
| Exact mass | 293.0618845 Da | PubChem ↗ |
| Computed XLogP | 4.2 | PubChem ↗ |
| Topological polar surface area (Ų) | 49.3 | PubChem ↗ |
| H-bond donors | 2 | PubChem ↗ |
| H-bond acceptors | 4 | PubChem ↗ |
| Rotatable bonds | 4 | PubChem ↗ |
PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.
Names & structural identifiers
Copy any identifierlumiracoxib{2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acidKHPKQFYUPIUARC-UHFFFAOYSA-NCc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)Names & synonyms
Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.
Classification & relationships
ChEBI ontologyRoles recorded in ChEBI
Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.
Mass ↔ amount of substance
Calculated from sourced massUses 293.725 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsCClOFNHCalculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.
Research & patent references
Selected source associationsSources & record history
Checked 27 Sep 2026Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0
PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.