ChemSpider 2D Image | Fimasartan | C27H31N7OS


  • Molecular FormulaC27H31N7OS
  • Average mass501.646 Da
  • Monoisotopic mass501.231079 Da
  • ChemSpider ID8046343

More details:

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

2-(2-Butyl-4-methyl-6-oxo-1-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,6-dihydro-5-pyrimidinyl)-N,N-dimethylethanethioamide [ACD/IUPAC Name]
2-(2-Butyl-4-méthyl-6-oxo-1-{[2'-(2H-tétrazol-5-yl)-4-biphénylyl]méthyl}-1,6-dihydro-5-pyrimidinyl)-N,N-diméthyléthanethioamide [French] [ACD/IUPAC Name]
2-(2-Butyl-4-methyl-6-oxo-1-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,6-dihydro-5-pyrimidinyl)-N,N-dimethylethanthioamid [German] [ACD/IUPAC Name]
247257-48-3 [RN]
5-Pyrimidineethanethioamide, 2-butyl-1,6-dihydro-N,N,4-trimethyl-6-oxo-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]- [ACD/Index Name]
fimasartan [French] [INN]
Fimasartan [INN]
fimasartán [Spanish] [INN]
fimasartanum [Latin] [INN]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      C09CA10 Wikidata Q8563179
      IRRITANT Matrix Scientific 100535
    • Target Organs:

      AGTR antagonist TargetMol T2322
    • Bio Activity:

      AGTR1 TargetMol T2322
      Angiogensis TargetMol T2322
      Angiotensin Receptor MedChem Express HY-B0780
      Fimasartan(BR-A-657) is a non-peptide angiotensin II receptor antagonist used for the treatment of hypertension and heart failure. MedChem Express
      Fimasartan(BR-A-657) is a non-peptide angiotensin II receptor antagonist used for the treatment of hypertension and heart failure.; IC50 value:; Target: AT1 receptor antagonist; in vitro: Fimasartan suppressed the expressions of inducible nitric oxide synthase (iNOS) by down-regulating its transcription, and subsequently inhibited the productions of nitric oxide (NO). MedChem Express HY-B0780
      GPCR/G protein MedChem Express HY-B0780
      GPCR/G protein; MedChem Express HY-B0780

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

Density: 1.3±0.1 g/cm3
Boiling Point: 693.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.9±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 147.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 21.89
ACD/KOC (pH 5.5): 144.73
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 3.69
ACD/KOC (pH 7.4): 24.43
Polar Surface Area: 122 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 400.3±7.0 cm3

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