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Substance Name: Nimesulide [INN:BAN]
RN: 51803-78-2
UNII: V4TKW1454M
InChIKey: HYWYRSMBCFDLJT-UHFFFAOYSA-N

Molecular Formula

  • C13-H12-N2-O5-S

Molecular Weight

  • 308.3128
 

Classification Codes

  • Analgesics
  • Analgesics, Non-Narcotic
  • Anti-Inflammatory Agents
  • Anti-Inflammatory Agents, Non-Steroidal
  • Antirheumatic Agents
  • Cyclooxygenase Inhibitors
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Human Data
  • Peripheral Nervous System Agents
  • Sensory System Agents
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Names and Synonyms

Name of Substance

  • Nimesulide
  • Nimesulide [INN:BAN]

Synonyms

  • 4'-Nitro-2'-phenoxymethansulfonanilid
  • 4-Nitro-2-phenoxy-methanesulfonanilide
  • Aulin
  • BRN 2421175
  • CCRIS 8225
  • EINECS 257-431-4
  • Flogovital
  • Mesulid
  • N-(4-Nitro-2-phenoxyphenyl)methanesulfonamide
  • Nimed
  • Nimesulida
  • Nimesulida [INN-Spanish]
  • Nimesulide
  • Nimesulidum
  • Nimesulidum [INN-Latin]
  • R 805
  • R-805
  • Sulidene
  • UNII-V4TKW1454M

Systematic Names

  • 4'-Nitro-2'-phenoxymethanesulfonanilide
  • Methanesulfonamide, N-(4-nitro-2-phenoxyphenyl)- (9CI)
  • Methanesulfonanilide, 4'-nitro-2'-phenoxy-
  • Nimesulide

Registry Numbers

CAS Registry Number

  • 51803-78-2

FDA UNII

  • V4TKW1454M

System Generated Number

  • 0051803782

Structure Descriptors

InChI

1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3

InChIKey

HYWYRSMBCFDLJT-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)[N+](=O)[O-])NS(C)(=O)=O)Oc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo oral 100mg/kg/5W-I (100mg/kg) LIVER: "JAUNDICE, CHOLESTATIC"

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"
Journal of Hepathology. Vol. 29, Pg. 135, 1998.
mouse LD50 intraperitoneal 216mg/kg (216mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 17, Pg. 1254, 1975.
mouse LD50 oral 392mg/kg (392mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 17, Pg. 1254, 1975.
rat LD50 intraperitoneal 163mg/kg (163mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 17, Pg. 1254, 1975.
rat LD50 oral 200mg/kg (200mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 34, Pg. 759, 1975.
women TDLo oral 2mg/kg (2mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

KIDNEY, URETER, AND BLADDER: PROTEINURIS
Nephrology, Dialysis, Transplantation. Vol. 12, Pg. 1493, 1997.
women TDLo oral 84mg/kg/3W-I (84mg/kg)   Journal of Hepathology. Vol. 29, Pg. 135, 1998.
women TDLo oral 84mg/kg/3W-I (84mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"

BLOOD: EOSINOPHILIA
Journal of Hepathology. Vol. 29, Pg. 135, 1998.
women TDLo unreported 8mg/kg (8mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

SENSE ORGANS AND SPECIAL SENSES: CHANGE IN FUNCTION: TASTE
Allergy. Vol. 52(Suppl,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 143-144.5 deg C   EXP
log P (octanol-water) 2.6 (none)   EXP
Water Solubility 26.9 mg/L 25 EST
Vapor Pressure 7.14E-09 mm Hg 25 EST
Henry's Law Constant 1.01E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.01E-11 cm3/molecule-sec 25 EST

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