Rivaroxaban
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:
Rivaroxaban, 366789-02-8, Xarelto, BAY 59-7939, BAY59-7939, BAY-59-7939, 9NDF7JZ4M3, 5-Chloro-N-({(5s)-2-Oxo-3-[4-(3-Oxomorpholin-4-Yl)phenyl]-1,3-Oxazolidin-5-Yl}methyl)thiophene-2-Carboxamide, JNJ39039039, JNJ-39039039, DTXSID3057723, CHEBI:68579, 5-chloro-N-{[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl}thiophene-2-carboxamide, 2-Thiophenecarboxamide, 5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-, 5-Chloro-N-(((5S)-2-oxo-3-(4-(3-oxomorpholin-4-yl)phenyl)-1,3-oxazolidin-5-yl)methyl)thiophene-2-carboxamide, 5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide, 2-Thiophenecarboxamide, 5-chloro-N-(((5S)-2-oxo-3-(4-(3-oxo-4-morpholinyl)phenyl)-5-oxazolidinyl)methyl)-, rivaroxabanum, BAY 597939, BAY 59 7939, RefChem:6203, B01AF01, DTXCID601508635, (S)-5-Chloro-N-((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)thiophene-2-carboxamide, 5-CHLORO-N-[[(S)-3-(4-(3-OXOMORPHOLIN-4-YL)PHENYL)-2-OXO-1,3-OXAZOLIDIN-5-YL]METHYL]-THIOPHENE-2-CARBOXAMIDE, MFCD11974010, C19H18ClN3O5S, 5-CHLORO-N-[[(5S)-2-OXO-3-[4-(3-OXO-4-MORPHOLINYL)PHENYL]-5-OXAZOLIDINYL]METHYL]-2-THIOPHENECARBOXAMIDE, (S)-Rivaroxaban, Rivaroxaban (Xarelto), 5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]oxazolidin-5-yl]methyl]thiophene-2-carboxamide, Xarelto (TN), Rivaroxaban [INN], UNII-9NDF7JZ4M3, Rivaroxaban CRS, HSDB 8149, 5-Chloro-N-{[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]oxazolidin-5-yl]methyl}thiophene-2-carboxamide, RIV, Rivaroxaban [USAN:INN:BAN:JAN], Rivaroxaban (Standard), RIVAROXABAN [MI], RIVAROXABAN [JAN], RIVAROXABAN [USAN], RIVAROXABAN [VANDF], SCHEMBL3914, RIVAROXABAN [MART.], RIVAROXABAN [USP-RS], RIVAROXABAN [WHO-DD], MLS006010027, Rivaroxaban (JAN/USAN/INN), RIVAROXABAN [EMA EPAR], BDBM7840, CHEMBL198362, GTPL6388, orb1309486, orb3141275, Rivaroxaban - Bio-X trade mark, BAY 59-7939 (Rivaroxaban), EX-A206, RIVAROXABAN [ORANGE BOOK], 2w26, KGFYHTZWPPHNLQ-AWEZNQCLSA-N, GLXC-90151, RIVAROXABAN [EP MONOGRAPH], Rivaroxaban,Xarelto,BAY 59-7939, EBC-07653, HY-50903R, MSK158364, AKOS005145918, CCG-212899, CS-0555, DB06228, FR27742, NCGC00262945-10, NCGC00379033-04, BR164355, HY-50903, SMR002529611, D07086, AB01563270_01, EN300-6733490, US8822458, 44, US8822458, 97, Q420262, SR-01000944189, SR-01000944189-1, BRD-K37130656-001-01-2, BRD-K37130656-001-03-8, Z1741977097, Rivaroxaban Working Standard (Secondary Reference Standard), (S)-5-chloro-N-{[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]oxazolidin-5-yl]methyl} thiophene-2-carboxamide, 1429742-50-6, 5-Chlor-N-({(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-2-thiophenecarboxamide, 5-chloro-n-({(5s)-2-oxo-3-[4-(3-oxo-4-morpholinyl) phenyl]-1,3-oxazolidin-5-yl}methyl)-2-thiophenecarboxamide, 5-Chloro-N-({(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}-methyl)-2-thiophenecarboxamide, 5-Chloro-N-({(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-2-thiophencarboxamide, 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-2-thiophene-carboxamide, 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-2-thiophenecarboxamide, 5-chloro-N-({(5s)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl} methyl)thiophene-2-carboxamide
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 |