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Sorafenib tosylate(CAS No. 475207-59-1)

Sorafenib tosylate C21H16ClF3N4O3 (cas 475207-59-1) Molecular Structure

475207-59-1 Structure

Identification and Related Records

【Name】
Sorafenib tosylate
【Iupac name】
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-
methylpyridine-2-carboxamide; 4-methylbenzenesulfonic acid
【CAS Registry number】
475207-59-1
【Synonyms】
Sorafenib tosylate [USAN]
1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(4-((2-(methylcarbamoyl)pyridin-4-yl)oxy)phenyl)urea mono(4-methylbenzenesulfonate)
4-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N2-methylpyridine-2-carboxamide mono (4-methylbenzenesulfonate)
BAY 43-9006
Nexavar(R)
UNII-5T62Q3B36J
2-Pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-, mono(4-methylbenzenesulfonate)
【Molecular Formula】
C21H16ClF3N4O3 (Products with the same molecular formula)
【Molecular Weight】
637.03
【Inchi】
InChI=1S/C21H16ClF3N4O3.C7H8O3S/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;1-6-2-4-7(5-3-6)11(8,9)10/h2-11H,1H3,(H,26,30)(H2,28,29,31);2-5H,1H3,(H,8,9,10)
【Canonical SMILES】
CC1=CC=C(C=C1)S(=O)(=O)O.CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
【MOL File】
475207-59-1.mol

Chemical and Physical Properties

【Appearance】
White to off-white crystalline powder
【Density】
1.454 g/cm3
【Boiling Point】
523.3 °C at 760 mmHg
【Flash Point】
270.3 °C
【Computed Properties】
Molecular Weight:637.02657 [g/mol]
Molecular Formula:C28H24ClF3N4O6S
H-Bond Donor:4
H-Bond Acceptor:10
Rotatable Bond Count:6
Tautomer Count:6
Exact Mass:636.105718
MonoIsotopic Mass:636.105718
Topological Polar Surface Area:155
Heavy Atom Count:43
Formal Charge:0
Complexity:853
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

Safety and Handling

【Specification】

?Nexavar , its cas register number is 475207-59-1. It also can be called?Sorafenib tosylate [USAN]?; 1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(4-((2-(methylcarbamoyl)pyridin-4-yl)oxy)phenyl)urea mono(4-methylbenzenesulfonate) ; 4-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N2-methylpyridine-2-carboxamide mono (4-methylbenzenesulfonate) ; BAY 43-9006 ; BAY43-9006 ; Nexavar(R) ; Sorafenib tosylate ; UNII-5T62Q3B36J ; 2-Pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-, mono(4-methylbenzenesulfonate) .

Biomedical Effects and Toxicity

【Pharmacological Action】
- Substances that inhibit or prevent the proliferation of NEOPLASMS.
- Agents that inhibit PROTEIN KINASES.

Supplier Location

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