Odanacatib

CAS Registry Number®

603139-19-1
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CAS Name

Odanacatib

Molecular Formula

C25H27F4N3O3S

Molecular Mass

525.56

Cite this Page

Odanacatib.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=603139-19-1 (retrieved 2024-03-02) (CAS RN: 603139-19-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    223-224 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1

InChIKey

InChIKey=FWIVDMJALNEADT-SFTDATJTSA-N

SMILES

N(C([C@@H](N[C@H]([C@](F)(F)F)C1=CC=C(C=C1)C2=CC=C(S(C)(=O)=O)C=C2)CC(C)(C)F)=O)C3(C#N)CC3

Canonical SMILES

N#CC1(NC(=O)C(NC(C2=CC=C(C=C2)C=3C=CC(=CC3)S(=O)(=O)C)C(F)(F)F)CC(F)(C)C)CC1

Other Names for this Substance

  • Pentanamide, N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4′-(methylsulfonyl)[1,1′-biphenyl]-4-yl]ethyl]amino]-, (2S)-
  • (2S)-N-(1-Cyanocyclopropyl)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4′-(methylsulfonyl)[1,1′-biphenyl]-4-yl]ethyl]amino]pentanamide
  • Odanacatib
  • N1-[(1-Cyanocyclopropyl)-4-fluoro-N2-[(1S)-2,2,2-trifluoro-1-[4-methylsulfonyl]-1,1′-biphenyl-4-yl] ethyl]-L-leucinamide
  • MK 0822

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