Sorafenib tosylate
CAS Number: 475207-59-1
Molecular Mass: 637.0 g/mol
Formula: C28H24ClF3N4O6S
Smiles: CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1ccc(S(=O)(=O)O)cc1
Synonymes:
Sorafenib tosylate, 475207-59-1, Nexavar, Sorafenib tosilate, BAY 54-9085, DTXSID9047839, 5T62Q3B36J, NSC724772, BAY-54-9085, BAY 43-9006 tosylate, DTXCID9027817, CHEBI:50928, 1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(4-((2-(methylcarbamoyl)pyridin-4-yl)oxy)phenyl)urea mono(4-methylbenzenesulfonate), 4-(4-(((4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)AMINO)PHENOXY)-N-METHYLPYRIDINE-2-CARBOXAMIDE 4-METHYLBENZENESULFONATE, 1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(methylcarbamoyl)pyridin-4-yl]oxy]phenyl]urea mono(4-methylbenzenesulfonate), 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide 4-methylbenzenesulfonate, RefChem:57444, 4-(4-(3-(4-Chloro-3-trifluoromethylphenyl)ureido)phenoxy)pyridine-2-carboxyllic Acid Methyamide-4-methylbenzenesulfonate Tosylate, 641-758-8, 4-(4-(3-(4-Chloro-3-trifluoromethylphenyl)ureido)phenoxy)pyridine-2-carboxylic acid methyamide-4-methylbenzenesulfonate, Sorafenib tosylate [USAN], MFCD08235032, 4-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N2-methylpyridine-2-carboxamide mono (4-methylbenzenesulfonate), Sorafenib (Tosylate), Sorafenib Hemitosylate, s1040, Sorafenib tosilate (JAN), Sorafenib (Nexavar), Sorafenib tosylate (USAN), Nexavar(R), 2056030-06-7, 4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N-methylpicolinamide 4-methylbenzenesulfonate, SORAFENIB TOSILATE [JAN], CAS-475207-59-1, NSC-724772, 475207-59-1 (tosylate), NCGC00167488-01, C28H24ClF3N4O6S, UNII-5T62Q3B36J, SR-00000000529, orafenib tosylate, Sorafenib CRS, BAY43-9006 mono-p-tosylate, BAY 43-9006 mono-p-tosylate, Nexavar (TN), Sorafenib tosilate CRS, MLS002415564, SCHEMBL162935, orb1310945, SORAFENIB TOSYLATE [MI], CHEMBL1200485, SCHEMBL29919725, Sorafenib (Tosylate) (Standard), Sorafenib tosylateBay 43-9006, GLXC-90155, HMS2219E08, HMS3654I09, HMS5079C07, HY-10201AR, Sorafenib (BAY-43-9006)?, SORAFENIB TOSILATE [MART.], SORAFENIB TOSILATE [WHO-DD], SORAFENIB TOSYLATE [USP-RS], Tox21_112489, EBC-17173, HY-10201A, AKOS015924650, AKOS027469919, Tox21_112489_1, AC-6799, CCG-208000, CS-0164, FS10808, ND-0228, Sorafenib tosylate - Bio-X trade mark, SORAFENIB TOSYLATE [ORANGE BOOK], NCGC00167488-08, SORAFENIB TOSILATE [EP MONOGRAPH], 2-Pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-, mono(4-methylbenzenesulfonate), 4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N-methylpicolinamide 4-methylbenzenesulfonate., 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide, 4-methylbenzenesulfonic acid, BS164414, SMR001339079, SORAFENIB TOSYLATE [USP MONOGRAPH], SY012324, SW202562-3, D06272, S-8502, SR-00000000529-5, Q27122250, 4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N-methylpicolinamide tosylate, -(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N2-methylpyridine-2-carboxamide mono (4-methylbenzenesulfonate), 4-(4-(((4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)AMINO)PHENOXY)-N-METHYLPYRIDINE-2-CARBOXAMIDE 4-METHYLBENZENESULPHONATE, 4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N-methylpicolinamide4-methylbenzenesulfonate, 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide, 4-methylbenzene-1-sulfonic acid, 4-[4-[[4-Chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-2-pyridinecarboxamide Tosylate, 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-pyridine-2-carboxamide, 4-methylbenzenesulfonic acid, 4-[4-[[4-Chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide tosylate, 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide, hydron, 4-methylbenzenesulfonate, 4-{4-[({[4-chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)-amino]phenoxy}-N-methylpyridine-2-carboxamide tosylate, 4-{4-[({[4-Chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-N -methylpyridine-2-carboxamide tosylate, 4-{4-[({[4-Chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-N-methylpyridine-2-carboxamide tosylate, 4-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido]-phenoxy} -pyridine-2-carboxylic acid methylamide-4-methylbenzenesulfonate, 4-{4-[3-(4-Cl-3-trifluoromethyl-phenyl)-ureido]-phenoxy}-pyridine-2-carboxylic acid methylamide 4-methylbenzenesulfonate, 4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-(5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl)benzamide monomethanesulfonate, 4-Methylbenzene-1-sulfonic acid--4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide (1/1)
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Butanol | 283.15 | - | 0.9252 | [330] |
| 1-Butanol | 293.15 | - | 1.131 | [330] |
| 1-Butanol | 303.15 | - | 1.64 | [330] |
| 1-Butanol | 313.15 | - | 2.159 | [330] |
| 1-Butanol | 323.15 | - | 2.836 | [330] |
| 1-Butanol | 333.15 | - | 3.624 | [330] |
| 1-Pentanol | 283.15 | - | 0.3433 | [330] |
| 1-Pentanol | 293.15 | - | 0.5157 | [330] |
| 1-Pentanol | 303.15 | - | 0.8646 | [330] |
| 1-Pentanol | 313.15 | - | 1.208 | [330] |
| 1-Pentanol | 323.15 | - | 1.557 | [330] |
| 1-Pentanol | 333.15 | - | 2.238 | [330] |
| 1-Propanol | 283.15 | - | 1.198 | [330] |
| 1-Propanol | 293.15 | - | 1.492 | [330] |
| 1-Propanol | 303.15 | - | 2.18 | [330] |
| 1-Propanol | 313.15 | - | 2.876 | [330] |
| 1-Propanol | 323.15 | - | 3.765 | [330] |
| 1-Propanol | 333.15 | - | 5.081 | [330] |
| Isobutanol | 283.15 | - | 0.4301 | [330] |
| Isobutanol | 293.15 | - | 0.6666 | [330] |
| Isobutanol | 303.15 | - | 1.016 | [330] |
| Isobutanol | 313.15 | - | 1.456 | [330] |
| Isobutanol | 323.15 | - | 1.9 | [330] |
| Isobutanol | 333.15 | - | 2.799 | [330] |
| Isopropanol | 283.15 | - | 0.6576 | [330] |
| Isopropanol | 293.15 | - | 0.9052 | [330] |
| Isopropanol | 303.15 | - | 1.321 | [330] |
| Isopropanol | 313.15 | - | 1.867 | [330] |
| Isopropanol | 323.15 | - | 2.5 | [330] |
| Isopropanol | 333.15 | - | 3.516 | [330] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 1191.2853 |
| PMI2 | 21113.7272 |
| PMI3 | 21299.9864 |
| NPR1 | 0.0559 |
| NPR2 | 0.9913 |
| RadiusOfGyration | 5.8502 |
| InertialShapeFactor | 0.0008 |
| Eccentricity | 0.9984 |
| Asphericity | 0.8429 |
| SpherocityIndex | 0.0907 |
| PBF | 0.7719 |