Semagacestat

CAS Registry Number®

425386-60-3
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CAS Name

Semagacestat

Molecular Formula

C19H27N3O4

Molecular Mass

361.44

Cite this Page

Semagacestat.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=425386-60-3 (retrieved 2024-04-19) (CAS RN: 425386-60-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    208-212 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1

InChIKey

InChIKey=PKXWXXPNHIWQHW-RCBQFDQVSA-N

SMILES

N(C([C@@H](NC([C@H](C(C)C)O)=O)C)=O)[C@H]1C=2C(CCN(C)C1=O)=CC=CC2

Canonical SMILES

O=C(NC(C(=O)NC1C(=O)N(C)CCC=2C=CC=CC21)C)C(O)C(C)C

Other Names for this Substance

  • Butanamide, 2-hydroxy-3-methyl-N-[(1S)-1-methyl-2-oxo-2-[[(1S)-2,3,4,5-tetrahydro-3-methyl-2-oxo-1H-3-benzazepin-1-yl]amino]ethyl]-, (2S)-
  • (2S)-2-Hydroxy-3-methyl-N-[(1S)-1-methyl-2-oxo-2-[[(1S)-2,3,4,5-tetrahydro-3-methyl-2-oxo-1H-3-benzazepin-1-yl]amino]ethyl]butanamide
  • LY 450139
  • Semagacestat

Deleted or Replaced CAS Registry Numbers

866488-53-1, 1644443-23-1

CAS INSIGHTSTM
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