Clopidogrel hydrogen sulfate

Compound Structure

CAS Number: 120202-66-6

Molecular Mass: 419.9 g/mol

Formula: C16H18ClNO6S2

Smiles: COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.O=S(=O)(O)O

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Butanol 273.15 - 247.1 [451]
1-Butanol 278.15 - 276.1 [451]
1-Butanol 283.15 - 324.4 [451]
1-Butanol 288.15 - 339.5 [451]
1-Butanol 293.15 - 383.2 [451]
1-Butanol 298.15 - 396.9 [451]
1-Butanol 303.15 - 432.7 [451]
1-Butanol 308.15 - 476.0 [451]
2-Butanol 273.15 - 17.66 [451]
2-Butanol 278.15 - 24.64 [451]
2-Butanol 283.15 - 31.55 [451]
2-Butanol 288.15 - 44.53 [451]
2-Butanol 293.15 - 58.83 [451]
2-Butanol 298.15 - 73.96 [451]
2-Butanol 303.15 - 88.08 [451]
2-Butanol 308.15 - 109.9 [451]
Acetone 273.15 - 112.8 [451]
Acetone 278.15 - 156.9 [451]
Acetone 283.15 - 203.7 [451]
Acetone 288.15 - 262.6 [451]
Acetone 293.15 - 284.2 [451]
Acetone 298.15 - 341.1 [451]
Acetone 303.15 - 405.5 [451]
Acetone 308.15 - 460.1 [451]
Ethyl acetate 273.15 - 1.226 [451]
Ethyl acetate 278.15 - 1.423 [451]
Ethyl acetate 283.15 - 1.488 [451]
Ethyl acetate 288.15 - 1.733 [451]
Ethyl acetate 293.15 - 1.962 [451]
Ethyl acetate 298.15 - 2.179 [451]
Ethyl acetate 303.15 - 2.3 [451]
Ethyl acetate 308.15 - 2.604 [451]
Isopropanol 273.15 - 46.09 [451]
Isopropanol 278.15 - 63.71 [451]
Isopropanol 283.15 - 74.19 [451]
Isopropanol 288.15 - 111.6 [451]
Isopropanol 293.15 - 133.4 [451]
Isopropanol 298.15 - 171.9 [451]
Isopropanol 303.15 - 215.4 [451]
Isopropanol 308.15 - 262.1 [451]
Methyl acetate 273.15 - 5.223 [451]
Methyl acetate 278.15 - 5.559 [451]
Methyl acetate 283.15 - 6.013 [451]
Methyl acetate 288.15 - 6.53 [451]
Methyl acetate 293.15 - 7.069 [451]
Methyl acetate 298.15 - 7.935 [451]
Methyl acetate 303.15 - 9.823 [451]
Methyl acetate 308.15 - 11.12 [451]
tert-Butyl methyl ether 273.15 - 0.225 [451]
tert-Butyl methyl ether 278.15 - 0.234 [451]
tert-Butyl methyl ether 283.15 - 0.268 [451]
tert-Butyl methyl ether 288.15 - 0.306 [451]
tert-Butyl methyl ether 293.15 - 0.3568 [451]
tert-Butyl methyl ether 298.15 - 0.386 [451]
tert-Butyl methyl ether 303.15 - 0.4243 [451]
tert-Butyl methyl ether 308.15 - 0.4316 [451]

Molecule 3D descriptors

Descriptor Value
PMI1 1278.2041
PMI2 3137.7989
PMI3 3584.8440
NPR1 0.3566
NPR2 0.8753
RadiusOfGyration 3.0866
InertialShapeFactor 0.0007
Eccentricity 0.9343
Asphericity 0.2805
SpherocityIndex 0.2919
PBF 0.8525