ChemSpider 2D Image | Indapamide | C16H16ClN3O3S

Indapamide

  • Molecular FormulaC16H16ClN3O3S
  • Average mass365.835 Da
  • Monoisotopic mass365.060089 Da
  • ChemSpider ID3574

More details:



Featured data source



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

1-(4-chloro-3-sulfamoylbenzamido)-2-methylindoline
248-012-7 [EINECS]
26807-65-8 [RN]
3333
4-Chlor-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-sulfamoylbenzamid [German] [ACD/IUPAC Name]
4-Chlor-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-sulfamoylbenzolcarboxamid
4-Chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-sulfamoylbenzamide [ACD/IUPAC Name]
4-Chloro-N-(2-méthyl-2,3-dihydro-1H-indol-1-yl)-3-sulfamoylbenzamide [French] [ACD/IUPAC Name]
Bajaten [Trade name]
Benzamide, 3-(aminosulfonyl)-4-chloro-N-(2,3-dihydro-2-methyl-1H-indol-1-yl)- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

F089I0511L [DBID]
S 1520 [DBID]
UNII:F089I0511L [DBID]
BRN 1604026 [DBID]
D00345 [DBID]
DivK1c_000508 [DBID]
I1887_SIGMA [DBID]
KBio1_000508 [DBID]
KBio2_001397 [DBID]
KBio2_003965 [DBID]
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  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      OFF-WHITE POWDER NIH Clinical Collection [SMR000058829]
    • Safety:

      C03BA11 Wikidata Q1078392
    • Target Organs:

      Potassium Channel inhibitor TargetMol T1498
    • Chemical Class:

      A sulfonamide formed by condensation of the carboxylic group of 4-chloro-3-sulfamoylbenzoic acid with the amino group of 2-methyl-2,3-dihydro-1<element>H</element>-indol-1-amine. ChEBI CHEBI:5893
    • Drug Status:

      approved BIONET-Key Organics KS-5219
    • Compound Source:

      synthetic Microsource [01500349]
    • Bio Activity:

      Indapamide is a non-thiazide sulphonamide diuretic compound, generally used in the treatment of hypertension, as well as decompensated cardiac failure. MedChem Express
      Indapamide is a non-thiazide sulphonamide diuretic compound, generally used in the treatment of hypertension, as well as decompensated cardiac failure.; Target: Potassium Channel; Indapamide is a thiazide-like diuretic drug marketed by Servier, generally used in the treatment of hypertension, as well as decompensated cardiac failure. MedChem Express HY-B0259
      Indapamide is a non-thiazide sulphonamide diuretic compound, generally used in the treatment of hypertension, as well as decompensated cardiac failure.;Target: Potassium Channel;Indapamide is a thiazide-like diuretic drug marketed by Servier, generally used in the treatment of hypertension, as well as decompensated cardiac failure. The US trade name for indapamide is Lozol. It is described as a thiazide-like diuretic. From Wikipedia;Indapamide evidently induces redistribution of the cardiac output, with enhanced muscle blood flow and reduced renal perfussion, and that AVP does not seem to be involved in blood pressure regulation in mild to moderate essential hypertension under basal conditions [1]. Indapamide SR provides an effective option for initial antihypertensive monotherapy and a basis for multidrug antihypertensive strategies[2] . MedChem Express HY-B0259
      Membrane Tranporter/Ion Channel MedChem Express HY-B0259
      Membrane Tranporter/Ion Channel; MedChem Express HY-B0259
      Membrane Transporter/Ion Channel TargetMol T1498
      Potassium Channel MedChem Express HY-B0259
      Potassium Channel TargetMol T1498
  • Gas Chromatography

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.694
Molar Refractivity: 92.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.46
ACD/KOC (pH 5.5): 353.05
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.11
ACD/KOC (pH 7.4): 348.30
Polar Surface Area: 101 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 73.8±5.0 dyne/cm
Molar Volume: 241.9±5.0 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) =  2.66

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  560.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  240.86  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.14E-011  (Modified Grain method)
    MP  (exp database):  161 deg C
    Subcooled liquid VP: 7.82E-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):  2.382
       log Kow used: 2.66 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  298.19 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.92E-015  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.345E-012 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.66  (KowWin est)
  Log Kaw used:  -12.795  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.455
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4456
   Biowin2 (Non-Linear Model)     :   0.0260
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1093  (months      )
   Biowin4 (Primary Survey Model) :   3.0861  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.7283
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3961
 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):  1.04E-007 Pa (7.82E-010 mm Hg)
  Log Koa (Koawin est  ): 15.455
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  28.8 
       Octanol/air (Koa) model:  700 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.999 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  35.9998 E-12 cm3/molecule-sec
      Half-Life =     0.297 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.565 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   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    :  4117
      Log Koc:  3.615 

 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 = 1.345 (BCF = 22.13)
       log Kow used: 2.66 (estimated)

 Volatilization from Water:
    Henry LC:  3.92E-015 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.857E+011  hours   (1.19E+010 days)
    Half-Life from Model Lake : 3.116E+012  hours   (1.299E+011 days)

 Removal In Wastewater Treatment:
    Total removal:               3.64  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.54  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       4.53e-006       7.13         1000       
   Water     13              1.44e+003    1000       
   Soil      86.9            2.88e+003    1000       
   Sediment  0.153           1.3e+004     0          
     Persistence Time: 2.49e+003 hr




                    

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