Chemical Properties of Bisoprolol

Bisoprolol

InChI
InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3
InChI Key
VHYCDWMUTMEGQY-UHFFFAOYSA-N
Formula
C18H31NO4
SMILES
CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1
Molecular Weight1
325.45
Other Names
  • 2-Propanol, 1-[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]-3-[(1-methylethyl)amino]-, (.+/-.)-
  • (.+/-.)-1-[[«alpha»-(2-Isopropoxyethoxy)-p-tolyl]oxy]-3-(isopropylamino)-2-propanol
  • EMD-33512
  • Bisoprolol - from tablet donated by Watson -
  • Bisprolol
  • 2-Propanol, 1-[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]-3-[(1-methylethyl)amino]-
  • 1-(p-2-isopropoxyethoxymethylphenoxy)-3-isopropylaminopropan-2-ol
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Physical Properties

Property Value Unit Source
ΔfusH° 38.21 kJ/mol Joback Calculated Property
log10WS -1.69 Relay (1.0) Calculated Property
logPoct/wat 2.366 Crippen Calculated Property
McVol 274.180 ml/mol McGowan Calculated Property
Tfus 332.34 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [406.58; 939.08] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A4.24550e+01
Coefficient B1.51378e+00
Coefficient C-6.75160e-04
Coefficient D5.80000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 406.58 J/mol×K 273.00 Calculated Property
Cp,gas 496.06 J/mol×K 353.78 Calculated Property
Cp,gas 577.54 J/mol×K 434.56 Calculated Property
Cp,gas 651.19 J/mol×K 515.33 Calculated Property
Cp,gas 717.20 J/mol×K 596.11 Calculated Property
Cp,gas 775.76 J/mol×K 676.89 Calculated Property
Cp,gas 827.04 J/mol×K 757.67 Calculated Property
Cp,gas 871.23 J/mol×K 838.44 Calculated Property
Cp,gas 908.52 J/mol×K 919.22 Calculated Property
Cp,gas 939.07 J/mol×K 1000.00 Calculated Property

Similar Compounds

Bisoprolol, TBDMS. Atenolol. Bisoprolol, N-ethoxycarbonylated, TMS. Toliprolol. Alprenolol. Atenolol, TBDMS. Atropine, picolinyloxydimethylsilyl ether. Benzeneacetic acid, «alpha»-[[(trimethylsilyl)oxy]methyl]-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl ester, [7(S)-(1«alpha»,2«beta»,4«beta»,5«alpha»,7«beta»)]-. Tropate, TMS. Acebutolol. Nadolol tri-TMS derivative. Mirtazapine-M (nor-HO-methoxy-) 2AC. Mirtazapine-M (nor-HO-) 2AC. Mirtazapine-M (HO-) AC. Morazone.

Find more compounds similar to Bisoprolol.

Sources

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