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Eprosartan

Molecular FormulaC₂₃H₂₄N₂O₄S
Average mass424.513 Da
Monoisotopic mass424.145691 Da
ChemSpider ID4444504

- Double-bond stereo

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Featured data source

Names and Synonyms
Database ID(s)

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

2KH13Z0S0Y

2-thiophenepropanoic acid, a-[[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazol-5-yl]methylene]-, (aE)-

2-Thiophenepropanoic acid, α-[[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazol-5-yl]methylene]-, (αE)- [ACD/Index Name]

4-({2-Butyl-5-[(1E)-2-carboxy-3-(2-thienyl)-1-propen-1-yl]-1H-imidazol-1-yl}methyl)benzoesäure [German] [ACD/IUPAC Name]

4-({2-Butyl-5-[(1E)-2-carboxy-3-(2-thienyl)-1-propen-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid [ACD/IUPAC Name]

4-({2-Butyl-5-[(1E)-2-carboxy-3-(2-thienyl)prop-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid

4-({2-butyl-5-[(1E)-2-carboxy-3-thiophen-2-ylprop-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid

4-({2-Butyl-5-[(1E)-2-carboxy-3-thiophen-2-ylprop-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzolcarbonsäure [German]

Acide 4-({2-butyl-5-[(1E)-2-carboxy-3-(2-thiényl)-1-propén-1-yl]-1H-imidazol-1-yl}méthyl)benzoïque [French] [ACD/IUPAC Name]

acide 4-({2-butyl-5-[(1E)-2-carboxy-3-thiophén-2-ylprop-1-én-1-yl]-1H-imidazol-1-yl}méthyl)benzoïque [French]

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Eprosartan [USAN] [Wiki]

(E)-2-butyl-1-(p-carboxybenzyl)-α-2-thenylimidazole-5-acrylic acid

(E)-3-[2-Butyl-1-(4-carboxybenzyl)-1H-imidazol-5-yl]-2-(2-thienylmethyl)acrylic acid

(E)-3-[2-Butyl-1-[(4-carboxyphenyl)methyl]imidazol-5-yl]-2-(2-thienylmethyl)-2-propenoic acid

(E)-3-[2-Butyl-1-[(4-carboxyphenyl)methyl]-imidazol-5-yl]-2-(2-thienylmethyl)-2-propenoic Acid

(E)-3-[2-n-butyl-1-{(4-carboxyphenyl)methyl}-1H-imidazol-5-yl]-2-(2-thienyl)methyl-2-propenoic acid

(E)-4-((2-butyl-5-(2-carboxy-3-(thiophen-2-yl)prop-1-en-1-yl)-1H-imidazol-1-yl)methyl)benzoic acid

(E)-a-[[2-Butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazol-5-yl]methylene]-2-thiophenepropanoic Acid

(E)-α{[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazole-5-yl]methylene}-2-thiopheneproprionic acid

??prosartan

[³H]eprosartan

[³H]-eprosartan

[³H]SK&F 108566

[³H]eprosartan

1185243-70-2 [RN]

144143-96-4 [RN]

2-Thiophenepropanoic acid, α-((2-butyl-1-((4-carboxyphenyl)methyl)-lH-imidazol-5-yl)methylene)-, (E)-

4-({2-butyl-5-[(1E)-2-carboxy-2-(thiophen-2-ylmethyl)eth-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid

4-({2-BUTYL-5-[(1E)-2-CARBOXY-2-[(THIOPHEN-2-YL)METHYL]ETH-1-EN-1-YL]-1H-IMIDAZOL-1-YL}METHYL)BENZOIC ACID

4-({2-butyl-5-[(1E)-2-carboxy-3-(thiophen-2-yl)prop-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid

4-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]-1-imidazolyl]methyl]benzoic acid

4-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid

4-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-yl-prop-1-enyl]imidazol-1-yl]methyl]benzoic acid

4-[[2-butyl-5-[(E)-3-hydroxy-3-keto-2-(2-thienylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid

4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(2-thienylmethyl)prop-1-enyl]-1-imidazolyl]methyl]benzoic acid

4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(2-thienylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid

4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid

4-[2-Butyl-5-((E)-2-carboxy-3-thiophen-2-yl-propenyl)-imidazol-1-ylmethyl]-benzoic acid

4-[2-Butyl-5-(2-carboxy-3-thiophen-2-yl-propenyl)-imidazol-1-ylmethyl]-benzoic acid

4338002 [Beilstein]

6291-85-6 [RN]

Benzoic acid, 4-(aminomethyl)- (9CI) [ACD/Index Name]

DB00876

des[2-(2-thienylmethyl)] eprosartan-2-carboxylic acid

Éprosartan

Eprosartan (USAN)

Eprosartan (USAN/INN)

Eprosartan [USAN:BAN:INN] [INN] [USAN]

Eprosartan; ??prosartan; Eprosartan; Eprosartanum

Eprosartan; Éprosartan; Eprosartan; Eprosartanum

eprosartan-d3

EPROSARTAN-D4

Eprosartanum

Eprozar

Eprozar (Trade name)

Eprozar®

Eprozar®|SK-108566|Teveten®

Eprozar; Futuran

Futuran

MFCD00897872 [MDL number]

NCGC00164557-01

SK&F 108566

SK-108566

SKF-108566

Teveten [Trade name]

TEVETEN HCT

Teveten®

TL8000785

UNII:2KH13Z0S0Y

UNII-2KH13Z0S0Y

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

7223 [DBID]

C07467 [DBID]

D04040 [DBID]

SKF 108566 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - EPISuite
Predicted - ChemAxon
Predicted - Mcule

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.3±0.1 g/cm³
Boiling Point:	660.6±55.0 °C at 760 mmHg
Vapour Pressure:	0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization:	102.1±3.0 kJ/mol
Flash Point:	353.3±31.5 °C
Index of Refraction:	1.628
Molar Refractivity:	118.9±0.5 cm³
#H bond acceptors:	6
#H bond donors:	2
#Freely Rotating Bonds:	10
#Rule of 5 Violations:	0

ACD/LogP:	4.96
ACD/LogD (pH 5.5):	1.36
ACD/BCF (pH 5.5):	1.01
ACD/KOC (pH 5.5):	4.00
ACD/LogD (pH 7.4):	1.09
ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 7.4):	2.16
Polar Surface Area:	121 Å²
Polarizability:	47.2±0.5 10^-24cm³
Surface Tension:	51.1±7.0 dyne/cm
Molar Volume:	335.3±7.0 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) =  6.37

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  655.49  (Adapted Stein & Brown method)
    Melting Pt (deg C):  285.23  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.35E-015  (Modified Grain method)
    Subcooled liquid VP: 2.56E-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):  0.01948
       log Kow used: 6.37 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.01135 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Thiophenes-acid
       Imidazoles-acid

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.55E-017  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.606E-014 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.37  (KowWin est)
  Log Kaw used:  -14.644  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  21.014
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0128
   Biowin2 (Non-Linear Model)     :   0.9545
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8622  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7606  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0114
   Biowin6 (MITI Non-Linear Model):   0.0094
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1448
 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):  3.41E-010 Pa (2.56E-012 mm Hg)
  Log Koa (Koawin est  ): 21.014
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.79E+003 
       Octanol/air (Koa) model:  2.54E+008 
   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 = 103.9102 E-12 cm3/molecule-sec
      Half-Life =     0.103 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.235 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec
      Half-Life =     0.084 Days (at 7E11 mol/cm3)
      Half-Life =      2.015 Hrs
   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    :  4.009E+005
      Log Koc:  5.603 

 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 = 1.750 (BCF = 56.23)
       log Kow used: 6.37 (estimated)

 Volatilization from Water:
    Henry LC:  5.55E-017 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.174E+013  hours   (9.056E+011 days)
    Half-Life from Model Lake : 2.371E+014  hours   (9.88E+012 days)

 Removal In Wastewater Treatment:
    Total removal:              93.23  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.45  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       0.000368        1.11         1000       
   Water     4.55            360          1000       
   Soil      44.9            720          1000       
   Sediment  50.5            3.24e+003    0          
     Persistence Time: 1.46e+003 hr

Click to predict properties on the Chemicalize site

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Eprosartan

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