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Adagrasib

Adagrasib

API0233053

Adagrasib

Adagrasib is an anticancer drug (KRAS inhibitor).

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Related Patent Status
  • CAS No.

    2326521-71-3

  • Synonyms

    Adagrasib; MRTX849; 2326521-71-3

  • CHEMBL ID

    CHEMBL4594350

  • Indications

  • Molecule Type

    Small molecule

  • Compound CID

    138611145

  • Molecular Weight (g/mol)

    604.1

  • Molecular Formula

    C32H35ClFN7O2

  • InChI

    InChI=1S/C32H35ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,23-24H,1,5,8,11-12,14-20H2,2H3/t23-,24-/m0/s1

  • InChIKey

    PEMUGDMSUDYLHU-ZEQRLZLVSA-N

  • SMILES

    CN1CCC[C@H]1COC2=NC3=C(CCN(C3)C4=CC=CC5=C4C(=CC=C5)Cl)C(=N2)N6CCN([C@H](C6)CC#N)C(=O)C(=C)F

  • IUPAC Name

    2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile

  • Exact Mass (Da)

    603.2524792

  • Monoisotopic Mass (Da)

    603.2524792

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