ChemSpider 2D Image | NBQX | C12H8N4O6S

NBQX

  • Molecular FormulaC12H8N4O6S
  • Average mass336.280 Da
  • Monoisotopic mass336.016449 Da
  • ChemSpider ID2521927

More details:






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

6-Nitro-2,3-dioxo-1,2,3,4-tetrahydrobenzo[f]chinoxalin-7-sulfonamid [German] [ACD/IUPAC Name]
6-Nitro-2,3-dioxo-1,2,3,4-tetrahydrobenzo[f]quinoxaline-7-sulfonamide [ACD/IUPAC Name]
6-Nitro-2,3-dioxo-1,2,3,4-tétrahydrobenzo[f]quinoxaline-7-sulfonamide [French] [ACD/IUPAC Name]
Benzo[f]quinoxaline-7-sulfonamide, 1,2,3,4-tetrahydro-6-nitro-2,3-dioxo- [ACD/Index Name]
NBQX
[118876-58-7]
1,2,3,4-Tetrahydro-6-nitro-2,3-dioxobenzo[f]quinoxaline-7-sulfonamide
1,2,3,4-Tetrahydro-6-nitro-2,3-dioxo-benzo[f]quinoxaline-7-sulfonamide disodium salt hydrate
1,2,3,4-Tetrahydro-6-nitro-2,3-dioxo-benzo[f]quinoxaline-7-sulfonamide hydrate
118876-58-7 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C13667 [DBID]
CCRIS 4693 [DBID]
FG 9202 [DBID]
NCGC00024559-01 [DBID]
Tocris-0373 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      Sold with the permission of Novo Nordisk A/S Tocris Bioscience 373
    • Bio Activity:

      <p>Potent, selective and competitive AMPA receptor antagonist. Also kainate receptor antagonist. Shows neuroprotective, antinociceptive and anticonvulsive actions. Water soluble, <a title=Water soluble NBQX disodium salt | Hello Bio href=/nbqx-disodium-salt.html target=_self>NBQX disodium salt</a> also available.</p> Hello Bio HB0442
      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio HB0442
      Glutamate (Ionotropic) Receptors Tocris Bioscience 373
      Ion Channels Tocris Bioscience 373
      Ion channels/Ligand-gated ion channel/Ionotropic glutamate receptors/AMPA Hello Bio HB0442
      Ion channels/Ligand-gated ion channel/Ionotropic glutamate receptors/Kainate Hello Bio HB0442
      Ligand-gated Ion Channels Tocris Bioscience 373
      Potent AMPA antagonist. More selective than CNQX (Cat. No. 0190) Tocris Bioscience 0373, 373
      Potent, selective and competitive AMPA receptor antagonist. Neuroprotective and anticonvulsant; active in vivo. Disodium Salt also available. Tocris Bioscience 373
      Potent, selective and competitive AMPA receptor antagonist. Neuroprotective and anticonvulsant; active in vivo. NBQX disodium salt (Cat. No. 1044) also available. Tocris Bioscience 0373, 373
      Potent, selective, competitive AMPA receptor antagonist Hello Bio HB0442

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.720
Molar Refractivity: 77.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.08
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.78
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.57
Polar Surface Area: 173 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 81.1±3.0 dyne/cm
Molar Volume: 196.2±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -0.32

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  664.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  289.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.77E-015  (Modified Grain method)
    Subcooled liquid VP: 1.52E-012 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  278.9
       log Kow used: -0.32 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  180.53 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.65E-019  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.808E-018 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.32  (KowWin est)
  Log Kaw used:  -16.566  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.246
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7027
   Biowin2 (Non-Linear Model)     :   0.7517
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1780  (months      )
   Biowin4 (Primary Survey Model) :   3.6650  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1898
   Biowin6 (MITI Non-Linear Model):   0.0007
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.8955
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.03E-010 Pa (1.52E-012 mm Hg)
  Log Koa (Koawin est  ): 16.246
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.48E+004 
       Octanol/air (Koa) model:  4.33E+003 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  17.2971 E-12 cm3/molecule-sec
      Half-Life =     0.618 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.420 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  239.7
      Log Koc:  2.380 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: -0.32 (estimated)

 Volatilization from Water:
    Henry LC:  6.65E-019 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.615E+015  hours   (6.727E+013 days)
    Half-Life from Model Lake : 1.761E+016  hours   (7.339E+014 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       9.56e-006       14.8         1000       
   Water     49.2            1.44e+003    1000       
   Soil      50.8            2.88e+003    1000       
   Sediment  0.096           1.3e+004     0          
     Persistence Time: 1.18e+003 hr




                    

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