Rivaroxaban

Compound Structure

CAS Number: 366789-02-8

Molecular Mass: 435.9 g/mol

Formula: C19H18ClN3O5S

Smiles: O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1,4-Dioxane 288.15 - 0.6794 [298]
1,4-Dioxane 293.15 - 0.8107 [298]
1,4-Dioxane 298.15 - 0.9619 [298]
1,4-Dioxane 303.15 - 1.135 [298]
1,4-Dioxane 308.15 - 1.332 [298]
1,4-Dioxane 313.15 - 1.555 [298]
1,4-Dioxane 318.15 - 1.805 [298]
1,4-Dioxane 323.15 - 2.086 [298]
1,4-Dioxane 328.15 - 2.4 [298]
1,4-Dioxane 333.15 - 2.748 [298]
1-Butanol 283.15 - 0.0267 [296]
1-Butanol 288.15 - 0.03751 [296]
1-Butanol 293.15 - 0.05142 [296]
1-Butanol 298.15 - 0.07014 [296]
1-Butanol 303.15 - 0.09481 [296]
1-Butanol 308.15 - 0.1282 [296]
1-Propanol 283.15 - 0.04705 [296]
1-Propanol 288.15 - 0.0615 [296]
1-Propanol 293.15 - 0.07985 [296]
1-Propanol 298.15 - 0.1027 [296]
1-Propanol 303.15 - 0.1304 [296]
1-Propanol 308.15 - 0.1654 [296]
Acetone 273.15 - 0.2479 [298]
Acetone 278.15 - 0.3206 [298]
Acetone 283.15 - 0.4111 [298]
Acetone 288.15 - 0.5224 [298]
Acetone 293.15 - 0.6577 [298]
Acetone 298.15 - 0.8224 [298]
Acetone 303.15 - 1.02 [298]
Acetone 308.15 - 1.256 [298]
Acetone 313.15 - 1.536 [298]
Acetone 318.15 - 1.865 [298]
Acetonitrile 273.15 - 0.4117 [298]
Acetonitrile 278.15 - 0.5183 [298]
Acetonitrile 283.15 - 0.647 [298]
Acetonitrile 288.15 - 0.8015 [298]
Acetonitrile 293.15 - 0.9853 [298]
Acetonitrile 298.15 - 1.203 [298]
Acetonitrile 303.15 - 1.458 [298]
Acetonitrile 308.15 - 1.756 [298]
Acetonitrile 313.15 - 2.102 [298]
Acetonitrile 318.15 - 2.499 [298]
Dichloromethane 283.15 - 1.753 [296]
Dichloromethane 288.15 - 1.92 [296]
Dichloromethane 293.15 - 2.097 [296]
Dichloromethane 298.15 - 2.285 [296]
Dichloromethane 303.15 - 2.48 [296]
Dichloromethane 308.15 - 2.684 [296]
Dimethylacetamide 278.15 - 47.19 [297]
Dimethylacetamide 283.15 - 51.91 [297]
Dimethylacetamide 288.15 - 56.98 [297]
Dimethylacetamide 293.15 - 62.44 [297]
Dimethylacetamide 298.15 - 68.35 [297]
Dimethylacetamide 303.15 - 74.69 [297]
Dimethylacetamide 308.15 - 81.56 [297]
Dimethylacetamide 313.15 - 88.91 [297]
Dimethylacetamide 318.15 - 96.77 [297]
Dimethylformamide 278.15 - 33.87 [297]
Dimethylformamide 283.15 - 38.11 [297]
Dimethylformamide 288.15 - 42.8 [297]
Dimethylformamide 293.15 - 47.94 [297]
Dimethylformamide 298.15 - 53.63 [297]
Dimethylformamide 303.15 - 59.82 [297]
Dimethylformamide 308.15 - 66.59 [297]
Dimethylformamide 313.15 - 74.02 [297]
Dimethylformamide 318.15 - 82.21 [297]
Ethanol 283.15 - 0.09132 [296]
Ethanol 288.15 - 0.1096 [296]
Ethanol 293.15 - 0.1307 [296]
Ethanol 298.15 - 0.1553 [296]
Ethanol 303.15 - 0.185 [296]
Ethanol 308.15 - 2.16 [296]
Ethyl acetate 278.15 - 0.2347 [297]
Ethyl acetate 283.15 - 0.2678 [297]
Ethyl acetate 288.15 - 0.3044 [297]
Ethyl acetate 293.15 - 0.3451 [297]
Ethyl acetate 298.15 - 0.3899 [297]
Ethyl acetate 303.15 - 0.4394 [297]
Ethyl acetate 308.15 - 0.4937 [297]
Ethyl acetate 313.15 - 0.553 [297]
Ethyl acetate 318.15 - 0.6183 [297]
Methanol 283.15 - 0.2624 [296]
Methanol 288.15 - 0.3215 [296]
Methanol 293.15 - 0.3906 [296]
Methanol 298.15 - 0.4728 [296]
Methanol 303.15 - 0.5625 [296]
Methanol 308.15 - 0.6722 [296]
Methyl acetate 273.15 - 0.181 [298]
Methyl acetate 278.15 - 0.2271 [298]
Methyl acetate 283.15 - 0.2825 [298]
Methyl acetate 288.15 - 0.3491 [298]
Methyl acetate 293.15 - 0.428 [298]
Methyl acetate 298.15 - 0.5207 [298]
Methyl acetate 303.15 - 0.6299 [298]
Methyl acetate 308.15 - 0.7567 [298]
Methyl acetate 313.15 - 0.9033 [298]
Methyl acetate 318.15 - 1.071 [298]
Methyl ethyl ketone 273.15 - 0.1733 [298]
Methyl ethyl ketone 278.15 - 0.2257 [298]
Methyl ethyl ketone 283.15 - 0.291 [298]
Methyl ethyl ketone 288.15 - 0.3718 [298]
Methyl ethyl ketone 293.15 - 0.4707 [298]
Methyl ethyl ketone 298.15 - 0.5914 [298]
Methyl ethyl ketone 303.15 - 0.7374 [298]
Methyl ethyl ketone 308.15 - 0.9125 [298]
Methyl ethyl ketone 313.15 - 1.121 [298]
Methyl ethyl ketone 318.15 - 1.367 [298]
Tetrahydrofuran 278.15 - 1.123 [297]
Tetrahydrofuran 283.15 - 1.252 [297]
Tetrahydrofuran 288.15 - 1.421 [297]
Tetrahydrofuran 293.15 - 1.555 [297]
Tetrahydrofuran 298.15 - 1.752 [297]
Tetrahydrofuran 303.15 - 1.905 [297]
Tetrahydrofuran 308.15 - 2.113 [297]
Tetrahydrofuran 313.15 - 2.357 [297]
Tetrahydrofuran 318.15 - 2.659 [297]

Molecule 3D descriptors

Descriptor Value
PMI1 1022.8462
PMI2 15396.9395
PMI3 15531.6734
NPR1 0.0659
NPR2 0.9913
RadiusOfGyration 6.0540
InertialShapeFactor 0.0010
Eccentricity 0.9978
Asphericity 0.8172
SpherocityIndex 0.0991
PBF 0.8224