Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00520
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| Drug Name |
Celecoxib
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| Synonyms |
4-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1Hpyrazol-1-yl] benzenesulfonamide; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide; AI-525; Benzenesulfonamide,4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl); CEL; CEP-33222; Celebra; Celebra (TN); Celebrex; Celebrex (TN); Celebrex, Celebra, Celecoxib; Celecox; Celecoxi; Celecoxib (JAN/USAN/INN); Celecoxib (SC-58635); Celecoxib [Old RN]; Celecoxib [USAN]; Celocoxib; Eurocox; Medicoxib; Onsenal; P-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide; Pfizer brand of celecoxib; SC 58635; SC-58553, SC-58635; SC-58635; SC58635; Solexa; TPI-336; Xilebao; YM 177; YM-177; YM177
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| Drug Type |
Small molecular drug
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| Therapeutic Class |
Analgesics
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C17H14F3N3O2S
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| Canonical SMILES |
CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
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| InChI |
InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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| InChIKey |
RZEKVGVHFLEQIL-UHFFFAOYSA-N
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| CAS Number |
CAS 169590-42-5
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| Pharmaceutical Properties | Molecular Weight | 381.4 | Topological Polar Surface Area | 86.4 | ||
| Heavy Atom Count | 26 | Rotatable Bond Count | 3 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 7 | |||
| XLogP |
3.4
|
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| PubChem CID | ||||||
| PubChem SID |
11336068
,11361307
,11363326
,11364763
,11365888
,11367325
,11368450
,11369887
,11372927
,11373130
,11373862
,11375487
,11376612
,11378052
,11445401
,11462279
,11485248
,11489392
,11491811
,11491997
,11494246
,11528618
,12015009
,14755918
,17389545
,26612517
,26680503
,26697316
,26747363
,26747364
,29221820
,46392808
,46505596
,46512162
,47365253
,47589055
,47959816
,48110506
,48413391
,48415737
,535138
,5364750
,7847633
,7886547
,7978890
,8150033
,8151729
,828874
,841958
,9791
|
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| ChEBI ID |
ChEBI:41423
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| TTD Drug ID | ||||||
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