API0232703
Cobimetinib Fumarate
Cobimetinib Fumarate is an anticancer drug (MEK inhibitor).
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CAS No.
1369665-02-0
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Synonyms
Cobimetinib Fumarate; Cobimetinib hemifumarate; Xl-518 hemifumarate
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CHEMBL ID
CHEMBL2364607
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Compound CID
71491931
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Molecular Weight (g/mol)
1178.7
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Molecular Formula
C46H46F6I2N6O8
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InChI
InChI=1S/2C21H21F3IN3O2.C4H4O4/c2*22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17;5-3(6)1-2-4(7)8/h2*4-7,9,17,26-27,30H,1-3,8,10-11H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*17-;/m00./s1
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InChIKey
RESIMIUSNACMNW-BXRWSSRYSA-N
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SMILES
C1CCN[C@@H](C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O.C1CCN[C@@H](C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O.C(=C/C(=O)O)\C(=O)O
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IUPAC Name
(E)-but-2-enedioic acid;[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanone
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Exact Mass (Da)
1178.13708
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Monoisotopic Mass (Da)
1178.13708
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