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Substance Name: Celecoxib [USAN:INN:BAN]
RN: 169590-42-5
UNII: JCX84Q7J1L
InChIKey: RZEKVGVHFLEQIL-UHFFFAOYSA-N

Note

  • A pyrazole derivative and selective CYCLOOXYGENASE 2 INHIBITOR that is used to treat symptoms associated with RHEUMATOID ARTHRITIS; OSTEOARTHRITIS and JUVENILE ARTHRITIS, as well as the management of ACUTE PAIN.

Molecular Formula

  • C17-H14-F3-N3-O2-S

Molecular Weight

  • 381.3766
 

Classification Codes

  • Analgesic
  • Analgesics
  • Analgesics, Non-Narcotic
  • Anti-Inflammatory
  • Anti-Inflammatory Agents
  • Anti-Inflammatory Agents, Non-Steroidal
  • Anti-Inflammatory and Analgesic (Cyclooxygenase-2 Inhibitor)
  • Antirheumatic Agents
  • Cyclooxygenase 2 Inhibitors
  • Cyclooxygenase Inhibitors
  • Enzyme Inhibitors
  • Peripheral Nervous System Agents
  • Sensory System Agents

Names and Synonyms

Name of Substance

  • Celecoxib
  • Celecoxib [USAN:INN:BAN]

MeSH Heading

  • Celecoxib

Synonyms

  • 4-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
  • CCRIS 9330
  • Celebra
  • Celebrex
  • Celecoxib
  • HSDB 7038
  • Onsenal
  • p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide
  • SC 58635
  • SC-58635
  • UNII-JCX84Q7J1L
  • Xilebao
  • YM 177
  • YM177

Systematic Name

  • Benzenesulfonamide, 4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-

Registry Numbers

CAS Registry Number

  • 169590-42-5

FDA UNII

  • JCX84Q7J1L

Other Registry Numbers

  • 184007-95-2
  • 194044-54-7

System Generated Number

  • 0169590425

Structure Descriptors

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)

InChIKey

RZEKVGVHFLEQIL-UHFFFAOYSA-N

Smiles

n1(c(c2ccc(cc2)C)cc(n1)C(F)(F)F)c1ccc(cc1)S(=O)(=O)N

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 158 deg C   EXP
log P (octanol-water) 3.470 (none)   EST

Physical property data is provided to ChemIDplus by SRC, Inc.