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Cobimetinib Fumarate

Cobimetinib Fumarate

API0232703

Cobimetinib Fumarate

Cobimetinib Fumarate is an anticancer drug (MEK inhibitor).

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  • CAS No.

    1369665-02-0

  • Synonyms

    Cobimetinib Fumarate; Cobimetinib hemifumarate; Xl-518 hemifumarate

  • CHEMBL ID

    CHEMBL2364607

  • Compound CID

    71491931

  • Molecular Weight (g/mol)

    1178.7

  • Molecular Formula

    C46H46F6I2N6O8

  • 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

  • InChIKey

    RESIMIUSNACMNW-BXRWSSRYSA-N

  • 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

  • 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

  • Exact Mass (Da)

    1178.13708

  • Monoisotopic Mass (Da)

    1178.13708

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