Dipyrone

Compound Structure

CAS Number: 5907-38-0

Molecular Mass: 351.36 g/mol

Formula: C13H18N3NaO5S

Smiles: Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C.O.[Na+]

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Butanol 293.15 - 1.2 [210]
1-Butanol 298.15 - 1.5 [210]
1-Butanol 303.05 - 1.9 [210]
1-Butanol 308.05 - 2.7 [210]
1-Butanol 313.05 - 3.4 [210]
1-Butanol 318.05 - 4.5 [210]
1-Butanol 323.05 - 5.6 [210]
1-Butanol 327.95 - 7.07 [210]
1-Butanol 332.85 - 8.89 [210]
1-Propanol 293.15 - 5.17 [210]
1-Propanol 298.15 - 6.09 [210]
1-Propanol 303.05 - 7.45 [210]
1-Propanol 308.05 - 8.81 [210]
1-Propanol 313.05 - 10.6 [210]
1-Propanol 318.05 - 12.9 [210]
1-Propanol 323.05 - 15.5 [210]
1-Propanol 327.95 - 18.0 [210]
1-Propanol 332.85 - 21.29 [210]
2-Butanol 293.15 - 0.76 [210]
2-Butanol 298.15 - 1.1 [210]
2-Butanol 303.05 - 1.5 [210]
2-Butanol 308.05 - 2.3 [210]
2-Butanol 313.05 - 2.6 [210]
2-Butanol 318.05 - 3.7 [210]
2-Butanol 323.05 - 4.82 [210]
2-Butanol 327.95 - 5.9 [210]
2-Butanol 332.85 - 7.7 [210]
Acetone 293.15 - 0.48 [210]
Acetone 298.15 - 0.47 [210]
Acetone 303.05 - 0.94 [210]
Acetone 308.05 - 0.94 [210]
Acetone 313.05 - 1.4 [210]
Acetone 318.05 - 1.4 [210]
Acetone 323.05 - 1.8 [210]
Acetone 327.95 - 2.3 [210]
Acetone 332.85 - 2.7 [210]
Ethanol 293.15 - 19.3 [210]
Ethanol 298.15 - 22.2 [210]
Ethanol 303.05 - 25.1 [210]
Ethanol 308.05 - 29.2 [210]
Ethanol 313.05 - 33.2 [210]
Ethanol 318.05 - 37.7 [210]
Ethanol 323.05 - 42.8 [210]
Ethanol 327.95 - 47.87 [210]
Ethanol 332.85 - 53.5 [210]
Ethyl acetate 293.15 - 0.36 [210]
Ethyl acetate 298.15 - 0.36 [210]
Ethyl acetate 303.05 - 0.35 [210]
Ethyl acetate 308.05 - 0.7 [210]
Ethyl acetate 313.05 - 0.7 [210]
Ethyl acetate 318.05 - 1.0 [210]
Ethyl acetate 323.05 - 1.0 [210]
Ethyl acetate 327.95 - 1.4 [210]
Ethyl acetate 332.85 - 1.7 [210]
Isopropanol 293.15 - 1.4 [210]
Isopropanol 298.15 - 1.8 [210]
Isopropanol 303.05 - 2.3 [210]
Isopropanol 308.05 - 2.7 [210]
Isopropanol 313.05 - 3.6 [210]
Isopropanol 318.05 - 4.0 [210]
Isopropanol 323.05 - 4.89 [210]
Isopropanol 327.95 - 6.19 [210]
Isopropanol 332.85 - 7.04 [210]
Methanol 293.15 - 248.0 [210]
Methanol 298.15 - 283.2 [210]
Methanol 303.05 - 322.9 [210]
Methanol 308.05 - 362.4 [210]
Methanol 313.05 - 422.3 [210]
Methanol 318.05 - 462.6 [210]
Methanol 323.05 - 515.0 [210]
Methanol 327.95 - 562.7 [210]
Methanol 332.85 - 610.4 [210]
Methyl acetate 293.15 - 0.44 [210]
Methyl acetate 298.15 - 0.44 [210]
Methyl acetate 303.05 - 0.44 [210]
Methyl acetate 308.05 - 0.43 [210]
Methyl acetate 313.05 - 0.86 [210]
Methyl acetate 318.05 - 0.86 [210]
Methyl acetate 323.05 - 1.3 [210]
Methyl acetate 327.95 - 1.7 [210]
Methyl acetate 332.85 - 2.1 [210]
Water 293.15 - 1107.0 [210]
Water 298.15 - 1189.0 [210]
Water 303.05 - 1273.0 [210]
Water 308.05 - 1361.2 [210]
Water 313.05 - 1450.0 [210]
Water 318.05 - 1539.0 [210]
Water 323.05 - 1635.0 [210]
Water 327.95 - 1729.0 [210]
Water 332.85 - 1830.0 [210]

Molecule 3D descriptors

Descriptor Value
PMI1 735.4574
PMI2 3726.7596
PMI3 4037.6214
NPR1 0.1822
NPR2 0.9230
RadiusOfGyration 3.4779
InertialShapeFactor 0.0013
Eccentricity 0.9833
Asphericity 0.5522
SpherocityIndex 0.1787
PBF 0.7200