Brequinar

CAS Registry Number®

96187-53-0

CAS Name

Brequinar

Molecular Formula

C23H15F2NO2

Molecular Mass

375.37

Cite this Page

Brequinar.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96187-53-0 (retrieved 2024-11-21) (CAS RN: 96187-53-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    315-317 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)

InChIKey

InChIKey=PHEZJEYUWHETKO-UHFFFAOYSA-N

SMILES

CC=1C(=NC2=C(C1C(O)=O)C=C(F)C=C2)C3=CC=C(C=C3)C4=C(F)C=CC=C4

Canonical SMILES

O=C(O)C=1C=2C=C(F)C=CC2N=C(C=3C=CC(=CC3)C=4C=CC=CC4F)C1C

Other Names for this Substance

  • 4-Quinolinecarboxylic acid, 6-fluoro-2-(2′-fluoro[1,1′-biphenyl]-4-yl)-3-methyl-
  • 6-Fluoro-2-(2′-fluoro[1,1′-biphenyl]-4-yl)-3-methyl-4-quinolinecarboxylic acid
  • Brequinar
  • Biphenquinate
  • BPQ

CAS INSIGHTSTM
Targeted protein degrader structure, illustration