Regorafenib

Catalog Number	ACM755037037
CAS	755037-03-7
Structure
IUPAC Name	4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
Synonyms	Regorafenib;755037-03-7;BAY 73-4506;Stivarga;4-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)-3-fluorophenoxy)-N-methylpicolinamide;Regorafenibum;Regorafenib (BAY 73-4506);BAY73-4506;BAY-73-4506;UNII-24T2A1DOYB;4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;24T2A1DOYB;CHEMBL1946170;CHEBI:68647;Stivarga (TN);4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;BAY73-4506 hydrochloride;2-Pyridinecarboxamide,4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-;4-(4-(((4-chloro-3-(trifluoromethyl)phenyl)carbamoyl)amino)-3-fluorophenoxy)-n-methylpyridine-2-carboxamide;1255386-16-3;Regorafenib [USAN:INN];4-(4-(((4-chloro-3-(trifluoromethyl)phenyl)carbamoyl}amino)-3-fluorophenoxy)-N-methylpyridine-2-carboxamide;2126178-55-8;Regorafenib-13C-d3;Regorafenib (USAN/INN);RegorafenibBAY73-4506;cc-195;MLS006010303;C21H15ClF4N4O3;Regorafenib crystalline form I;SCHEMBL432230;Regorafenib,BAY 73-4506;GTPL5891;QCR-85;BAY73-4506(Regorafenib)/;Regorafenib(BAY 73-4506);Bay-734506;DTXSID60226441;EX-A058;Regorafenib - BAY 73-4506;SYN1169;BCPP000352;HMS3654K16;HMS3672E15;AOB87754;BCP02105;ZINC6745272;ABP000611;BDBM50363397;MFCD16038047;NSC763932;NSC800865;s1178;AKOS015951107;ACN-036634;AM81251;BAY 734506;BCP9000384;CCG-269571;CS-0170;DB08896;NSC-763932;NSC-800865;SB16819;NCGC00263138-01;NCGC00263138-13;NCGC00263138-19;AC-25075;AC-31116;AK106990;AS-16304;HY-10331;SMR004701370;AB0008044;FT-0674338;R0142;SW218097-2;cas:835621-07-3;Regorafenib hydrochloride;Regorafenib (BAY73-4506,Fluoro-Sorafenib);A25020;D10138;S-7780;AB01565826_02;SR-01000941571;Q3891664;SR-01000941571-1;BRD-K16730910-001-02-4;2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-;4-[4-({[4-Chloro-3-(trifluoromethy)phenyl]carbamoyl}amino)-3-fluorophenoxy]-1-methylpyridine-2-carboxamide;4{4-[3-(4-chloro-3-trifluoromethylphenyl)-ureido]-3-fluorophenoxy}-pyridine-2-carboxylic acid methylamide;835621-08-4;Regorafenib;1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(2-fluoro-4-(2-(methylcarbamoyl)pyridin-4-yloxy)phenyl)urea
Molecular Weight	482.8g/mol
Molecular Formula	C21H15ClF4N4O3
Canonical SMILES	CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F
InChI	InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
InChI Key	FNHKPVJBJVTLMP-UHFFFAOYSA-N
Solubility	Insoluble
Complexity	686
Covalently-Bonded Unit Count	1
Exact Mass	482.0768807g/mol
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	8
Monoisotopic Mass	482.0768807g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	92.4Å²
UNII	24T2A1DOYB
X Log P3	4.2

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