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Rolapitant Hydrochloride

Rolapitant Hydrochloride

API0232870

Rolapitant Hydrochloride

Roflumilast is used to treat chronic obstructive pulmonary disease (COPD).

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  • CAS No.

    914462-92-3

  • Synonyms

    Rolapitant hydrochloride; Rolapitant hydrochloride hydrate; Rolapitant HCl

  • CHEMBL ID

    CHEMBL3707330

  • Indications

  • Molecule Type

    Small molecule

  • Compound CID

    16203739

  • Molecular Weight (g/mol)

    555

  • Molecular Formula

    C25H29ClF6N2O3

  • InChI

    InChI=1S/C25H26F6N2O2.ClH.H2O/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22;;/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34);1H;1H2/t16-,22-,23-;;/m1../s1

  • InChIKey

    GZQWMYVDLCUBQX-WVZIYJGPSA-N

  • SMILES

    C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC[C@]2(CC[C@]3(CCC(=O)N3)CN2)C4=CC=CC=C4.O.Cl

  • IUPAC Name

    (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one;hydrate;hydrochloride

  • Exact Mass (Da)

    554.1770895

  • Monoisotopic Mass (Da)

    554.1770895

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