Halofuginone

CAS Registry Number®

55837-20-2

CAS Name

Halofuginone

Molecular Formula

C16H17BrClN3O3

Molecular Mass

414.68

Cite this Page

Halofuginone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55837-20-2 (retrieved 2024-11-22) (CAS RN: 55837-20-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    192-195 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/s2

InChIKey

InChIKey=LVASCWIMLIKXLA-PVRQQBJHNA-N

SMILES

O=C1C=2C(N=CN1CC(C[C@H]3[C@H](O)CCCN3)=O)=CC(Br)=C(Cl)C2

Canonical SMILES

O=C1C=2C=C(Cl)C(Br)=CC2N=CN1CC(=O)CC3NCCCC3O

Other Names for this Substance

  • 4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-, rel-
  • 4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-, trans-(±)-
  • rel-7-Bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-4(3H)-quinazolinone
  • Halofuginone
  • 4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-, trans-

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration