ChemSpider 2D Image | Telmisartan | C33H30N4O2

Telmisartan

  • Molecular FormulaC33H30N4O2
  • Average mass514.617 Da
  • Monoisotopic mass514.236877 Da
  • ChemSpider ID59391

More details:



Featured data source



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

[1,1'-Biphenyl]-2-carboxylic acid, 4'-[(1,4'-dimethyl-2'-propyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl]- [ACD/Index Name]
144701-48-4 [RN]
4'-[(1,7'-Dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]-2-biphenylcarbonsäure [German] [ACD/IUPAC Name]
4'-[(1,7'-Dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]-2-biphenylcarboxylic acid [ACD/IUPAC Name]
4'-[(1,7'-Dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carbonsäure [German]
4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylic acid
7144
Acide 4'-[(1,7'-diméthyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)méthyl]-2-biphénylcarboxylique [French] [ACD/IUPAC Name]
acide 4'-[(1,7'-diméthyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)méthyl]biphényl-2-carboxylique [French]
Kinzalmono [Trade name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BIBR 277 [DBID]
BIBR-277 [DBID]
C07710 [DBID]
D00627 [DBID]
KBio3_001958 [DBID]
KBioGR_001842 [DBID]
LS-44263 [DBID]
SPBio_002131 [DBID]
Spectrum2_001976 [DBID]
Spectrum3_001089 [DBID]
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      C09CA07 Wikidata Q733186
      GHS07 Biosynth Q-101933
      H315; H319; H335 Biosynth Q-101933
      IRRITANT Matrix Scientific 076044
      None LKT Labs [T1644]
      P261; P280; P302+P352; P304+P340; P305+P351+P338; P312 Biosynth Q-101933
      Warning Biosynth Q-101933
    • Target Organs:

      RAAS inhibitor; ACE inhibitor; PPAR agonist TargetMol T1570
    • Chemical Class:

      A member of the class of benzimidazoles used widely in the treatment of hypertension. ChEBI CHEBI:9434
    • Drug Status:

      approved BIONET-Key Organics KS-1215
    • Compound Source:

      synthetic; BIBR-277 SE Microsource [01505261]
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 5139
      ACE;PPAR gamma TargetMol T1570
      Angiogenesis; Endocrinology/ Hormones TargetMol T1570
      Angiotensin Receptor MedChem Express HY-13955
      Angiotensin Receptors Tocris Bioscience 5139
      Antagonist of the angiotensin II type 1 receptor (AT1) (Ki = 3.7 nM). Exhibits antihypertensive activity in a renin-dependent model of hypertension. Partial agonist of PPAR? receptors; shown to improv e insulin sensitivity in rodents receiving high fat diets. Tocris Bioscience 5139
      Antagonist of the angiotensin II type 1 receptor (AT1) (Ki = 3.7 nM). Exhibits antihypertensive activity in a renin-dependent model of hypertension. Partial agonist of PPAR? receptors; shown to improve insulin sensitivity in rodents receiving high fat diets. Tocris Bioscience 5139
      Antagonist of the angiotensin II type 1 receptor (AT1) (Ki = 3.7 nM). Exhibits antihypertensive activity in a renin-dependent model of hypertension. Partial agonist of PPARgamma receptors; shown to improve insulin sensitivity in rodents receiving high fat diets. Tocris Bioscience 5139
      Antihypertensive agent Zerenex Molecular [ZBioX-0096]
      AT1 antagonist; PPAR? partial agonist Tocris Bioscience 5139
      AT1 antagonist; PPARgamma partial agonist Tocris Bioscience 5139
      GPCR/G protein MedChem Express HY-13955
      GPCR/G protein; MedChem Express HY-13955
      Peptide Receptors Tocris Bioscience 5139
      Telmisartan(BIBR 277) is an angiotensin II receptor antagonist (angiotensin receptor blocker, ARB) used in the management of hypertension. MedChem Express
      Telmisartan(BIBR 277) is an angiotensin II receptor antagonist (angiotensin receptor blocker, ARB) used in the management of hypertension.; IC50 Value: 9.2 nM [1]; Target: Angiotensin Receptor; in vitro: In intact RVSMC cells and in membrane preparations, telmisartan inhibits the binding of 125I-AngII to AT1 receptors in a concentrationdependent manner, with an IC50 of 9.2 ?0.8 nM. MedChem Express HY-13955

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

Density: 1.2±0.1 g/cm3
Boiling Point: 771.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 420.6±35.7 °C
Index of Refraction: 1.667
Molar Refractivity: 154.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.73
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 1899.12
ACD/KOC (pH 5.5): 2364.03
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 125.93
ACD/KOC (pH 7.4): 156.75
Polar Surface Area: 73 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 414.9±7.0 cm3

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