Carvedilol

Compound Structure

CAS Number: 72956-09-3

Molecular Mass: 406.5 g/mol

Formula: C24H26N2O4

Smiles: COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Butanol 288.15 - 3.027 [239]
1-Butanol 293.15 - 3.51 [239]
1-Butanol 298.15 - 4.087 [239]
1-Butanol 303.15 - 4.756 [239]
1-Butanol 308.15 - 5.479 [239]
1-Propanol 288.15 - 3.465 [239]
1-Propanol 293.15 - 4.303 [239]
1-Propanol 298.15 - 5.392 [239]
1-Propanol 303.15 - 6.574 [239]
1-Propanol 308.15 - 7.989 [239]
Acetone 278.15 - 3.62 [240]
Acetone 283.15 - 4.94 [240]
Acetone 288.15 - 70.55 [239]
Acetone 288.15 - 6.529 [240]
Acetone 293.15 - 82.5 [239]
Acetone 293.15 - 8.529 [240]
Acetone 298.15 - 96.7 [239]
Acetone 298.15 - 11.6 [240]
Acetone 303.15 - 111.8 [239]
Acetone 303.15 - 14.65 [240]
Acetone 308.15 - 127.0 [239]
Acetone 308.15 - 19.23 [240]
Acetone 313.15 - 24.8 [240]
Dichloromethane 288.15 - 16.27 [239]
Dichloromethane 293.15 - 21.27 [239]
Dichloromethane 298.15 - 27.15 [239]
Dichloromethane 303.15 - 34.97 [239]
Dichloromethane 308.15 - 45.15 [239]
Ethanol 278.15 - 4.39 [240]
Ethanol 283.15 - 5.99 [240]
Ethanol 288.15 - 4.742 [239]
Ethanol 288.15 - 7.849 [240]
Ethanol 293.15 - 5.899 [239]
Ethanol 293.15 - 9.977 [240]
Ethanol 298.15 - 7.354 [239]
Ethanol 298.15 - 12.85 [240]
Ethanol 303.15 - 8.831 [239]
Ethanol 303.15 - 16.99 [240]
Ethanol 308.15 - 10.84 [239]
Ethanol 308.15 - 21.03 [240]
Ethanol 313.15 - 26.61 [240]
Ethyl acetate 278.15 - 2.67 [240]
Ethyl acetate 283.15 - 3.63 [240]
Ethyl acetate 288.15 - 6.28 [239]
Ethyl acetate 288.15 - 6.115 [240]
Ethyl acetate 293.15 - 7.867 [239]
Ethyl acetate 293.15 - 7.784 [240]
Ethyl acetate 298.15 - 9.886 [239]
Ethyl acetate 298.15 - 9.93 [240]
Ethyl acetate 303.15 - 12.0 [239]
Ethyl acetate 303.15 - 12.09 [240]
Ethyl acetate 308.15 - 14.79 [239]
Ethyl acetate 308.15 - 15.16 [240]
Ethyl acetate 313.15 - 17.21 [240]
Isopropanol 288.15 - 2.25 [239]
Isopropanol 293.15 - 2.951 [239]
Isopropanol 298.15 - 3.838 [239]
Isopropanol 303.15 - 4.982 [239]
Isopropanol 308.15 - 6.49 [239]
Methanol 278.15 - 6.44 [240]
Methanol 283.15 - 8.84 [240]
Methanol 288.15 - 7.748 [239]
Methanol 288.15 - 11.52 [240]
Methanol 293.15 - 9.633 [239]
Methanol 293.15 - 15.1 [240]
Methanol 298.15 - 12.0 [239]
Methanol 298.15 - 20.09 [240]
Methanol 303.15 - 14.8 [239]
Methanol 303.15 - 25.45 [240]
Methanol 308.15 - 18.27 [239]
Methanol 308.15 - 32.53 [240]
Methanol 313.15 - 41.22 [240]
Propylene Glycol 288.15 - 7.679 [239]
Propylene Glycol 293.15 - 8.597 [239]
Propylene Glycol 298.15 - 9.617 [239]
Propylene Glycol 303.15 - 10.63 [239]
Propylene Glycol 308.15 - 11.69 [239]
Tetrahydrofuran 278.15 - 2.19 [240]
Tetrahydrofuran 283.15 - 3.09 [240]
Tetrahydrofuran 288.15 - 108.5 [239]
Tetrahydrofuran 288.15 - 4.28 [240]
Tetrahydrofuran 293.15 - 120.4 [239]
Tetrahydrofuran 293.15 - 5.911 [240]
Tetrahydrofuran 298.15 - 133.3 [239]
Tetrahydrofuran 298.15 - 8.318 [240]
Tetrahydrofuran 303.15 - 148.1 [239]
Tetrahydrofuran 303.15 - 11.24 [240]
Tetrahydrofuran 308.15 - 162.8 [239]
Tetrahydrofuran 308.15 - 14.87 [240]
Tetrahydrofuran 313.15 - 20.0 [240]
Water 278.15 - 452.0 [240]
Water 283.15 - 535.8 [240]
Water 288.15 - 645.8 [240]
Water 293.15 - 768.4 [240]
Water 298.15 - 933.3 [240]
Water 303.15 - 1104.0 [240]
Water 308.15 - 1311.5 [240]
Water 313.15 - 1534.4 [240]

Molecule 3D descriptors

Descriptor Value
PMI1 2017.8719
PMI2 10634.5116
PMI3 11136.0743
NPR1 0.1812
NPR2 0.9550
RadiusOfGyration 5.4094
InertialShapeFactor 0.0005
Eccentricity 0.9834
Asphericity 0.5571
SpherocityIndex 0.2324
PBF 1.2357