API0232612
Selumetinib Sulfate
Selpercatinib is a RET inhibitor used for thyroid and lung cancer.
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CAS No.
943332-08-9
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Synonyms
Selumetinib sulfate; 943332-08-9; AZD-6244 hydrogen sulfate
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CHEMBL ID
CHEMBL2105684
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Molecule Type
Small molecule
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Compound CID
16214875
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Molecular Weight (g/mol)
555.8
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Molecular Formula
C17H17BrClFN4O7S
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InChI
InChI=1S/C17H15BrClFN4O3.H2O4S/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19;1-5(2,3)4/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26);(H2,1,2,3,4)
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InChIKey
GRKFGZYYYYISDX-UHFFFAOYSA-N
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SMILES
CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO.OS(=O)(=O)O
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IUPAC Name
6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide;sulfuric acid
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Exact Mass (Da)
553.96739
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Monoisotopic Mass (Da)
553.96739
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