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Sitagliptin hydrochloride

Sitagliptin hydrochloride

API0233150

Sitagliptin hydrochloride

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  • CAS No.

    486459-71-6

  • Synonyms

    Sitagliptin Hydrochloride; 486459-71-6; IEL0A0OS7E

  • CHEMBL ID

    CHEMBL539077

  • Molecule Type

    Small molecule

  • Compound CID

    11476287

  • Molecular Weight (g/mol)

    443.77

  • Molecular Formula

    C16H16ClF6N5O

  • InChI

    InChI=1S/C16H15F6N5O.ClH/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22;/h4,6,9H,1-3,5,7,23H2;1H/t9-;/m1./s1

  • InChIKey

    PNXSHNOORJKXDW-SBSPUUFOSA-N

  • SMILES

    C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N.Cl

  • IUPAC Name

    (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride

  • Exact Mass (Da)

    443.0947568

  • Monoisotopic Mass (Da)

    443.0947568

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