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Rimegepant Sulfate

Rimegepant Sulfate

API0232709

Rimegepant Sulfate

Rimantadine Hydrochloride is an antiviral drug used for influenza.

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  • CAS No.

    1374024-48-2

  • Synonyms

    Rimegepant sulfate; Nurtec ODT; 1374024-48-2

  • CHEMBL ID

    CHEMBL2364629

  • Compound CID

    71586738

  • Molecular Weight (g/mol)

    1221.2

  • Molecular Formula

    C56H64F4N12O13S

  • InChI

    InChI=1S/2C28H28F2N6O3.H2O4S.3H2O/c2*29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37;1-5(2,3)4;;;/h2*1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37);(H2,1,2,3,4);3*1H2/t2*18-,22+,24-;;;;/m00..../s1

  • InChIKey

    SOGUOEZRYKUOHR-CQZKMDJHSA-N

  • SMILES

    C1C[C@H](C2=C(C=CC=N2)[C@H]([C@@H]1C3=C(C(=CC=C3)F)F)N)OC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6.C1C[C@H](C2=C(C=CC=N2)[C@H]([C@@H]1C3=C(C(=CC=C3)F)F)N)OC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6.O.O.O.OS(=O)(=O)O

  • IUPAC Name

    [(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;sulfuric acid;trihydrate

  • Exact Mass (Da)

    1220.43726396

  • Monoisotopic Mass (Da)

    1220.43726396

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