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Substance Name: Rofecoxib [USAN:INN:BAN]
RN: 162011-90-7
UNII: 0QTW8Z7MCR
InChIKey: RZJQGNCSTQAWON-UHFFFAOYSA-N

Note

  • a sulfonylphenyl furanone; withdrawn out of concern for TOXICITY

Molecular Formula

  • C17-H14-O4-S

Molecular Weight

  • 314.3596
 

Classification Codes

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

Name of Substance

  • Rofecoxib [USAN:INN:BAN]

Synonyms

  • 3-Phenyl-4-(4-(methylsulfonyl)phenyl))-2(5H)-furanone
  • 4-(4-(Methylsulfonyl)phenyl)-3-phenyl-2(5H)-furanone
  • 4-(p-(Methylsulfonyl)phenyl)-3-phenyl-2(5H)-furanone
  • CCRIS 8967
  • Ceoxx
  • HSDB 7262
  • MK 0966
  • MK 966
  • MK-0966
  • MK0966
  • Rofecoxib
  • TRM-201
  • UNII-0QTW8Z7MCR
  • Vioxx

Systematic Name

  • 2(5H)-Furanone, 4-(4-(methylsulfonyl)phenyl)-3-phenyl-

Registry Numbers

CAS Registry Number

  • 162011-90-7

FDA UNII

  • 0QTW8Z7MCR

Other Registry Number

  • 186912-82-3

System Generated Number

  • 0162011907

Structure Descriptors

InChI

1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3

InChIKey

RZJQGNCSTQAWON-UHFFFAOYSA-N

Smiles

CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo oral 20mg/kg/4W-I (20mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" Annals of Internal Medicine. Vol. 133, Pg. 394, 2000.