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ChemSpider 2D Image | Zafirlukast | C31H33N3O6S


  • Molecular FormulaC31H33N3O6S
  • Average mass575.675 Da
  • Monoisotopic mass575.208984 Da
  • ChemSpider ID5515

More details:

Featured data source

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[3-(2-Méthoxy-4-{[(2-méthylphényl)sulfonyl]carbamoyl}benzyl)-1-méthyl-1H-indol-5-yl]carbamate de cyclopentyle [French] [ACD/IUPAC Name]
107753-78-6 [RN]
Accolate [Trade name]
Accoleit [Trade name]
carbamic acid, [3-[[2-methoxy-4-[[[(2-methylphenyl)sulfonyl]amino]carbonyl]phenyl]methyl]-1-methyl-1H-indol-5-yl]-, cyclopentyl ester
Carbamic acid, N-[3-[[2-methoxy-4-[[[(2-methylphenyl)sulfonyl]amino]carbonyl]phenyl]methyl]-1-methyl-1H-indol-5-yl]-, cyclopentyl ester [ACD/Index Name]
cyclopentyl (1-methyl-3-{[2-(methyloxy)-4-({[(2-methylphenyl)sulfonyl]amino}carbonyl)phenyl]methyl}-1H-indol-5-yl)carbamate
Cyclopentyl [3-(2-methoxy-4-{[(2-methylphenyl)sulfonyl]carbamoyl}benzyl)-1-methyl-1H-indol-5-yl]carbamate [ACD/IUPAC Name]
Cyclopentyl 3-[2-methoxy-4-({[(2-methylphenyl)sulfonyl]amino}carbonyl)benzyl]-1-methyl-1H-indol-5-ylcarbamate

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C07206 [DBID]
CHEBI:10100 [DBID]
D00411 [DBID]
ICI-204219 [DBID]
LS-50025 [DBID]
PubChem Substance ID 329831176 [DBID]
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Safety:

      IRRITANT Matrix Scientific 090210
      P261; P262 Biosynth Q-201940
      R03DC01 Wikidata Q928378
    • Bio Activity:

      Antiasthmatic agent Zerenex Molecular [ZBioX-0143]
      GPCR/G protein MedChem Express HY-17492
      GPCR/G protein; MedChem Express HY-17492
      Leukotriene Receptor MedChem Express HY-17492
      Zafirlukast is a leukotriene receptor antagonist (LTRA). MedChem Express, HY-17492
      Zafirlukast is a leukotriene receptor antagonist (LTRA). (IC50=0.6 uM, IC50=7.0 uM for CYP2C9);Target: Leukotriene ReceptorZafirlukast is an oral leukotriene receptor antagonist (LTRA) for the maintenance treatment of asthma, often used in conjunction with an inhaled steroid and/or long-acting bronchodilator. It is available as a tablet and is usually dosed twice daily. Another leukotriene receptor antagonist is montelukast (Singulair), which is usually taken just once daily. Zafirlukast blocks the action of the cysteinyl leukotrienes on the CysLT1 receptors, thus reducing constriction of the airways, build-up of mucus in the lungs and inflammation of the breathing passages [1, 2]. MedChem Express HY-17492

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 156.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 2638.36
ACD/KOC (pH 5.5): 6409.82
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 157.35
ACD/KOC (pH 7.4): 382.27
Polar Surface Area: 124 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 433.6±7.0 cm3

Click to predict properties on the Chemicalize site