API0232538
Regorafenib
Regadenoson is used for cardiac stress testing.
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CAS No.
755037-03-7
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Synonyms
Regorafenib; 755037-03-7; BAY 73-4506
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CHEMBL ID
CHEMBL1946170
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Molecule Type
Small molecule
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Compound CID
11167602
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Molecular Weight (g/mol)
482.8
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Molecular Formula
C21H15ClF4N4O3
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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)
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InChIKey
FNHKPVJBJVTLMP-UHFFFAOYSA-N
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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
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IUPAC Name
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
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Exact Mass (Da)
482.0768807
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Monoisotopic Mass (Da)
482.0768807
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