| BioID | bio200442 |
|---|
| Name | PARECOXIB SODIUM |
|---|
| ChEMBL ID | CHEMBL296913 |
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| Molecular Formula | C19H17N2NaO4S |
|---|
| Molecular Weight | 392.41 |
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| Molecular Weight (Monoisotopic) | 370.0987 |
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| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | Dynastat|PARECOXIB SODIUM|PARECOXIB SODIUM SALT|SC-69124A |
|---|
| Smiles | CCC(=O)[N-]S(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1.[Na+] |
|---|
| Inchi | InChI=1S/C19H18N2O4S.Na/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15;/h4-12H,3H2,1-2H3,(H,21,22);/q;+1/p-1 |
|---|
| Inchi Key | HQPVVKXJNZEAFW-UHFFFAOYSA-M |
|---|
| Molecular Species | ACID |
|---|
| Targets | 18.0 |
|---|
| Bioactivities | 38.0 |
|---|
| Np Likeness Score | -1.18 |
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| Records Key | ['Parecoxib sodium', '5b, Parecoxib sodium', '3 (parecoxib)', '4', 'SID144206591', '6', 'PARECOXIB SODIUM', 'PARECOXIB SODIUM', 'PARECOXIB SODIUM', 'SAM001246773', 'Parecoxib sodium', 'PARECOXIB SODIUM'] |
|---|
| Records Name | ['Sodium salt 4-(5-Methyl-3-phenyl-isoxazol-4-yl)-N-propionyl-benzenesulfonamide', 'Sodium salt of 4-(5-Methyl-3-phenyl-isoxazol-4-yl)-N-propionyl-benzenesulfonamide (Parecoxib sodium)', 'Sulfonamide derivative', 'parecoxib sodium', 'SID144206591', 'parecoxib-Na', 'PARECOXIB SODIUM', 'PARECOXIB SODIUM', 'PARECOXIB SODIUM', 'C0164862', 'Parecoxib sodium', 'PARECOXIB SODIUM'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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