ChemSpider 2D Image | Prazosin | C19H21N5O4

Prazosin

  • Molecular FormulaC19H21N5O4
  • Average mass383.401 Da
  • Monoisotopic mass383.159363 Da
  • ChemSpider ID4724

More details:



Featured data source



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

[4-(4-Amino-6,7-dimethoxy-2-chinazolinyl)-1-piperazinyl](2-furyl)methanon [German] [ACD/IUPAC Name]
[4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl](2-furyl)methanone [ACD/IUPAC Name]
[4-(4-Amino-6,7-diméthoxy-2-quinazolinyl)-1-pipérazinyl](2-furyl)méthanone [French] [ACD/IUPAC Name]
19216-56-9 [RN]
2-[4-(2-Furoyl)piperazin-1-yl]-4-amino-6,7-dimethoxyquinazoline
242-885-8 [EINECS]
2-Furyl[4-(4-imino-6,7-dimethoxy-3,4-dihydro-2-chinazolinyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
2-Furyl[4-(4-imino-6,7-dimethoxy-3,4-dihydro-2-quinazolinyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
2-Furyl[4-(4-imino-6,7-diméthoxy-3,4-dihydro-2-quinazolinyl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(3,4-dihydro-4-imino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-2-furanyl- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Bio1_000365 [DBID]
Bio1_000854 [DBID]
Bio1_001343 [DBID]
Bio2_000358 [DBID]
Bio2_000838 [DBID]
BRN 0768345 [DBID]
C07368 [DBID]
DivK1c_000375 [DBID]
HSDB 3298 [DBID]
KBio1_000375 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      IRRITANT Matrix Scientific 099656
    • Drug Status:

      approved BIONET-Key Organics AF-0052
    • Bio Activity:

      Adrenergic Receptor MedChem Express HY-B0193
      GPCR/G protein MedChem Express HY-B0193
      GPCR/G protein; MedChem Express HY-B0193
      Prazosin is an alpha-adrenergic blocker and is a sympatholytic drug used to treat high blood pressure and anxiety, PTSD, and panic disorder. MedChem Express
      Prazosin is an alpha-adrenergic blocker and is a sympatholytic drug used to treat high blood pressure and anxiety, PTSD, and panic disorder.; Target: Adrenergic Receptor; Prazosin, is a sympatholytic drug used to treat high blood pressure and anxiety, PTSD, andpanic disorder. MedChem Express HY-B0193
      Prazosin is an alpha-adrenergic blocker and is a sympatholytic drug used to treat high blood pressure and anxiety, PTSD, and panic disorder.;Target: Adrenergic ReceptorPrazosin, is a sympatholytic drug used to treat high blood pressure and anxiety, PTSD, andpanic disorder. It is an alpha-adrenergic blocker that is specific for the alpha-1 receptors. These receptors are found on vascular smooth muscle, where they are responsible for the vasoconstrictive action of norepinephrine. They are also found throughout the central nervous system. As of 2013, prazosin is off-patent in the US, and the FDA has approved at least one generic manufacturer.In addition to its alpha-blocking activity, prazosin is an antagonist of the MT3 receptor (which is not present in humans), with selectivity for this receptor over the MT1 and MT2 receptors.Prazosin is orally active and has a minimal effect on cardiac function due to its alpha-1 receptor selectivity. However, when prazosin is initially started, MedChem Express HY-B0193
  • Gas Chromatography

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

Density: 1.4±0.1 g/cm3
Boiling Point: 638.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 339.9±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 103.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.04
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.10
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 3.96
ACD/KOC (pH 7.4): 89.93
Polar Surface Area: 107 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 283.4±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) =  1.28

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  556.92  (Adapted Stein & Brown method)
    Melting Pt (deg C):  239.19  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.51E-012  (Modified Grain method)
    MP  (exp database):  279 deg C
    Subcooled liquid VP: 9.66E-010 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):  310.2
       log Kow used: 1.28 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  359.53 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aromatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.68E-018  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.456E-015 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.28  (KowWin est)
  Log Kaw used:  -16.163  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  17.443
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6000
   Biowin2 (Non-Linear Model)     :   0.6507
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7917  (months      )
   Biowin4 (Primary Survey Model) :   3.2579  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0331
   Biowin6 (MITI Non-Linear Model):   0.0041
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.8448
 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):  1.29E-007 Pa (9.66E-010 mm Hg)
  Log Koa (Koawin est  ): 17.443
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  23.3 
       Octanol/air (Koa) model:  6.81E+004 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.999 
       Mackay model           :  0.999 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 284.3670 E-12 cm3/molecule-sec
      Half-Life =     0.038 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    27.082 Min
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  8076
      Log Koc:  3.907 

 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 = 0.289 (BCF = 1.945)
       log Kow used: 1.28 (estimated)

 Volatilization from Water:
    Henry LC:  1.68E-018 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 6.824E+014  hours   (2.843E+013 days)
    Half-Life from Model Lake : 7.444E+015  hours   (3.102E+014 days)

 Removal In Wastewater Treatment:
    Total removal:               1.92  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.83  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       7.54e-008       0.903        1000       
   Water     39              1.44e+003    1000       
   Soil      60.9            2.88e+003    1000       
   Sediment  0.0904          1.3e+004     0          
     Persistence Time: 1.38e+003 hr




                    

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