Telmisartan

Angiotensin II receptor blocker (ARB) used primarily for the treatment of hypertension and reduction of cardiovascular risk. Telmisartan selectively antagonizes angiotensin II type 1 (AT1) receptors, thereby reducing angiotensin II-mediated vasoconstriction and aldosterone secretion

Compound Structure

CAS Number: 144701-48-4

Molecular Mass: 514.6 g/mol

Formula: C33H30N4O2

Smiles: CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

Synonymes:

Bioactivity: Angiotensin II AT1 receptor antagonist; antihypertensive agent

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Acetone 278.55 - 0.3162 [29]
Acetone 287.45 - 0.4033 [29]
Acetone 294.55 - 0.5424 [29]
Acetone 303.85 - 0.6516 [29]
Acetone 308.75 - 0.7667 [29]
Acetone 316.25 - 0.9545 [29]
Acetone 325.75 - 1.288 [29]
Benzene 278.55 - 0.4095 [29]
Benzene 288.45 - 0.6464 [29]
Benzene 299.85 - 0.9363 [29]
Benzene 307.25 - 1.344 [29]
Benzene 316.15 - 1.627 [29]
Benzene 324.35 - 2.012 [29]
Benzene 333.35 - 2.69 [29]
Chloroform 278.75 - 35.01 [29]
Chloroform 289.45 - 40.47 [29]
Chloroform 296.95 - 45.07 [29]
Chloroform 298.15 - 46.55 [29]
Chloroform 303.95 - 47.61 [29]
Chloroform 308.35 - 48.87 [29]
Chloroform 313.15 - 50.34 [29]
Dichloromethane 278.35 - 12.3 [29]
Dichloromethane 286.55 - 14.37 [29]
Dichloromethane 293.95 - 16.48 [29]
Dichloromethane 298.05 - 17.27 [29]
Dichloromethane 305.25 - 19.47 [29]
Dichloromethane 308.35 - 20.57 [29]
Dichloromethane 311.75 - 21.33 [29]
Ethanol 277.85 - 0.2744 [29]
Ethanol 288.45 - 0.4052 [29]
Ethanol 298.45 - 0.555 [29]
Ethanol 308.35 - 0.7804 [29]
Ethanol 313.45 - 1.009 [29]
Ethanol 329.75 - 1.854 [29]
Ethanol 333.65 - 2.149 [29]
Ethyl acetate 283.65 - 0.1316 [29]
Ethyl acetate 293.35 - 0.2193 [29]
Ethyl acetate 303.65 - 0.306 [29]
Ethyl acetate 305.35 - 0.3238 [29]
Ethyl acetate 317.95 - 0.4487 [29]
Ethyl acetate 329.45 - 0.6148 [29]
Ethyl acetate 333.65 - 0.7353 [29]
Isopropanol 288.45 - 0.1048 [29]
Isopropanol 298.05 - 0.1853 [29]
Isopropanol 309.55 - 0.271 [29]
Isopropanol 316.55 - 0.3682 [29]
Isopropanol 321.55 - 0.4828 [29]
Isopropanol 329.55 - 0.6843 [29]
Isopropanol 338.35 - 1.003 [29]
Methanol 278.45 - 0.7796 [29]
Methanol 288.55 - 1.14 [29]
Methanol 299.85 - 1.664 [29]
Methanol 307.35 - 1.911 [29]
Methanol 313.25 - 2.307 [29]
Methanol 324.85 - 3.313 [29]
Methanol 330.05 - 3.826 [29]
Toluene 278.65 - 0.1746 [29]
Toluene 288.45 - 0.2959 [29]
Toluene 300.05 - 0.4037 [29]
Toluene 306.35 - 0.5966 [29]
Toluene 316.75 - 0.7975 [29]
Toluene 325.85 - 1.051 [29]
Toluene 334.55 - 1.42 [29]

Molecule 3D descriptors

Descriptor Value
PMI1 4697.8444
PMI2 11219.6325
PMI3 14083.3642
NPR1 0.3336
NPR2 0.7967
RadiusOfGyration 5.3989
InertialShapeFactor 0.0002
Eccentricity 0.9427
Asphericity 0.3085
SpherocityIndex 0.2539
PBF 1.3382