Spironolactone

Compound Structure

CAS Number: 52-01-7

Molecular Mass: 416.6 g/mol

Formula: C24H32O4S

Smiles: CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Butanol 278.95 - 8.95 [86]
1-Butanol 283.65 - 10.89 [86]
1-Butanol 288.55 - 14.18 [86]
1-Butanol 293.45 - 18.06 [86]
1-Butanol 298.25 - 21.35 [86]
1-Butanol 303.05 - 26.35 [86]
1-Butanol 308.15 - 33.1 [86]
1-Butanol 312.95 - 40.46 [86]
1-Butanol 317.65 - 49.63 [86]
1-Propanol 278.4 - 12.92 [86]
1-Propanol 283.65 - 14.68 [86]
1-Propanol 288.35 - 18.28 [86]
1-Propanol 293.25 - 22.11 [86]
1-Propanol 298.15 - 27.2 [86]
1-Propanol 303.05 - 33.61 [86]
1-Propanol 307.95 - 41.79 [86]
1-Propanol 312.9 - 52.73 [86]
1-Propanol 318.35 - 66.27 [86]
Ethanol 278.75 - 12.35 [86]
Ethanol 283.55 - 14.21 [86]
Ethanol 288.45 - 17.11 [86]
Ethanol 293.45 - 22.21 [86]
Ethanol 298.35 - 28.09 [86]
Ethanol 303.15 - 34.81 [86]
Ethanol 308.25 - 42.81 [86]
Ethanol 313.15 - 54.22 [86]
Ethanol 317.95 - 68.36 [86]
Ethyl acetate 278.85 - 79.31 [86]
Ethyl acetate 283.65 - 87.04 [86]
Ethyl acetate 288.55 - 98.85 [86]
Ethyl acetate 293.45 - 107.4 [86]
Ethyl acetate 298.3 - 122.3 [86]
Ethyl acetate 303.15 - 136.0 [86]
Ethyl acetate 308.1 - 155.3 [86]
Ethyl acetate 312.95 - 178.1 [86]
Ethyl acetate 317.75 - 196.5 [86]
Isopropanol 278.45 - 5.51 [86]
Isopropanol 283.55 - 7.076 [86]
Isopropanol 288.4 - 9.196 [86]
Isopropanol 293.25 - 11.33 [86]
Isopropanol 298.2 - 14.4 [86]
Isopropanol 303.05 - 18.55 [86]
Isopropanol 307.95 - 23.94 [86]
Isopropanol 312.9 - 30.65 [86]
Isopropanol 317.55 - 39.03 [86]
Methanol 278.85 - 2.115 [86]
Methanol 283.65 - 2.781 [86]
Methanol 288.55 - 3.68 [86]
Methanol 293.45 - 4.22 [86]
Methanol 298.3 - 6.258 [86]
Methanol 303.15 - 8.27 [86]
Methanol 308.1 - 10.48 [86]
Methanol 312.95 - 13.97 [86]
Methanol 317.75 - 18.22 [86]

Molecule 3D descriptors

Descriptor Value
PMI1 1900.5765
PMI2 5260.7027
PMI3 6442.5652
NPR1 0.2950
NPR2 0.8166
RadiusOfGyration 4.0408
InertialShapeFactor 0.0004
Eccentricity 0.9555
Asphericity 0.3601
SpherocityIndex 0.2985
PBF 1.0946