Lumacaftor

CAS Registry Number®

936727-05-8

CAS Name

Lumacaftor

Molecular Formula

C24H18F2N2O5

Molecular Mass

452.41

Cite this Page

Lumacaftor.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=936727-05-8 (retrieved 2024-11-21) (CAS RN: 936727-05-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)

InChIKey

InChIKey=UFSKUSARDNFIRC-UHFFFAOYSA-N

SMILES

C(NC=1N=C(C(C)=CC1)C2=CC(C(O)=O)=CC=C2)(=O)C3(CC3)C=4C=C5C(=CC4)OC(F)(F)O5

Canonical SMILES

O=C(O)C1=CC=CC(=C1)C2=NC(=CC=C2C)NC(=O)C3(C4=CC=C5OC(F)(F)OC5=C4)CC3

Other Names for this Substance

  • Benzoic acid, 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]amino]-3-methyl-2-pyridinyl]-
  • 3-[6-[[[1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid
  • VRT 826809
  • VX 809
  • Lumacaftor

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Deleted or Replaced CAS Registry Numbers

1220975-12-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration