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Boceprevir

Boceprevir

API0232667

Boceprevir

Boceprevir is an antiviral drug (for hepatitis C).

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API Description
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Document
Related Patent Status
  • CAS No.

    394730-60-0

  • Synonyms

    Boceprevir; 394730-60-0; Victrelis

  • CHEMBL ID

    CHEMBL218394

  • Indications

  • Molecule Type

    Small molecule

  • Compound CID

    10324367

  • Molecular Weight (g/mol)

    519.7

  • Molecular Formula

    C27H45N5O5

  • InChI

    InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1

  • InChIKey

    LHHCSNFAOIFYRV-DOVBMPENSA-N

  • SMILES

    CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(=O)C(=O)N)C

  • IUPAC Name

    (1R,2S,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

  • Exact Mass (Da)

    519.34206955

  • Monoisotopic Mass (Da)

    519.34206955

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