ChemSpider 2D Image | Candesartan cilexetil | C33H34N6O6

Candesartan cilexetil

  • Molecular FormulaC33H34N6O6
  • Average mass610.660 Da
  • Monoisotopic mass610.253967 Da
  • ChemSpider ID2444

More details:






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

1-{[(Cyclohexyloxy)carbonyl]oxy}ethyl 2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-benzimidazole-7-carboxylate [ACD/IUPAC Name]
1-{[(Cyclohexyloxy)carbonyl]oxy}ethyl 2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylate
1-{[(cyclohexyloxy)carbonyl]oxy}ethyl 2-ethoxy-1-{[2'-(2H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylate
1-{[(Cyclohexyloxy)carbonyl]oxy}ethyl-2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-benzimidazol-7-carboxylat [German] [ACD/IUPAC Name]
1-{[(Cyclohexyloxy)carbonyl]oxy}ethyl-2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazol-7-carboxylat [German]
145040-37-5 [RN]
1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester [ACD/Index Name]
2-Ethoxy-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylic Acid 1-[[(Cyclohexyloxy)carbonyl]oxy]ethyl Ester
2-ethoxy-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-Benzimidazole-7-carboxylic acid 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester
2-Éthoxy-1-{[2'-(1H-tétrazol-5-yl)-4-biphénylyl]méthyl}-1H-benzimidazole-7-carboxylate de 1-{[(cyclohexyloxy)carbonyl]oxy}éthyle [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

R85M2X0D68 [DBID]
TCV 116 [DBID]
UNII:R85M2X0D68 [DBID]
BR-75900 [DBID]
C07709 [DBID]
CCRIS 937 [DBID]
D00626 [DBID]
DD6672500 [DBID]
KBio2_002187 [DBID]
KBio2_004755 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      20/21/22-36/37/38 LKT Labs [C0254]
      GHS07 Biosynth Q-200787
      H302; H312; H315; H319; H332; H335 Biosynth Q-200787
      H332, H312, H302, H319, H335, H315 LKT Labs [C0254]
      IRRITANT Matrix Scientific 076335
      P261; P280; P302+P352; P304+P340; P305+P351+P338; P312 Biosynth Q-200787
      Warning Biosynth Q-200787
      Xn, Xi LKT Labs [C0254]
    • Target Organs:

      RAAS antagonist;ACE inhibitor TargetMol T2400
    • Compound Source:

      synthetic Microsource [01504261]
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 4792
      Ang II receptor TargetMol T2400
      Angiogenesis;Endocrinology/ Hormones TargetMol T2400
      Angiotensin Receptor MedChem Express HY-17505
      Angiotensin Receptors Tocris Bioscience 4792
      Candesartan Cilexetil (TCV-116) is an angiotensin II receptor antagonist used mainly for the treatment of hypertension. MedChem Express
      Candesartan Cilexetil (TCV-116) is an angiotensin II receptor antagonist used mainly for the treatment of hypertension.; Target: Type-1 angiotensin II receptor; Candesartan is generally well tolerated and significantly reduced cardiovascular deaths and hospital admissions for heart failure. MedChem Express HY-17505
      Candesartan Cilexetil (TCV-116) is an angiotensin II receptor antagonist used mainly for the treatment of hypertension.;Target: Type-1 angiotensin II receptorCandesartan is generally well tolerated and significantly reduced cardiovascular deaths and hospital admissions for heart failure. Ejection fraction or treatment at baseline did not alter these effects [1]. In rats, TCV-116 inhibited the pressor responses to Ang I, Ang II, and Ang III without an effect on the bradykinin (BK)-induced depressor response. In SHR, the antihypertensive effect of TCV-116 (10 mg/kg) was larger than the maximum antihypertensive effect of enalapril and was not intensified by combination with enalapril. TCV-116 is more effective than enalapril in reducing blood pressure in SHR and 1K, 1C-HR, and that the BK- and/or prostaglandin-potentiating effect of enalapril contributes little to its antihypertensive mechanism in SHR [2]. MedChem Express HY-17505
      GPCR/G protein MedChem Express HY-17505
      GPCR/G protein; MedChem Express HY-17505
      Peptide Receptors Tocris Bioscience 4792
      Prodrug of candesartan (Cat. No. 4791), an AT1 receptor antagonist Tocris Bioscience 4792
      Prodrug of the angiotensin II receptor 1 (AT1) antagonist candesartan (Cat. No. 4791), which exhibits antihypertensive effects in animal models. Tocris Bioscience 4792

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

Density: 1.4±0.1 g/cm3
Boiling Point: 843.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.5±3.0 kJ/mol
Flash Point: 463.8±37.1 °C
Index of Refraction: 1.667
Molar Refractivity: 165.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 7.79
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 1137.99
ACD/KOC (pH 5.5): 2328.11
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 226.58
ACD/KOC (pH 7.4): 463.53
Polar Surface Area: 143 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 444.7±7.0 cm3

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