Chemical Compound

Lumacaftor

CAS Registry Number936727-05-8
Lumacaftor chemical structure
Primary record

Lumacaftor

CAS
936727-05-8
PubChem CID
16678941
SMILES
CC1=C(N=C(C=C1)NC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F)C5=CC(=CC=C5)C(=O)O
Molecular Formula
C24H18F2N2O5
Molecular Weight
452.413
Exact Mass
452.1184
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
UFSKUSARDNFIRC-UHFFFAOYSA-N
LogP
4.747
TPSA
97.75

Names and synonyms

  • Lumacaftor
  • VX-809
  • 936727-05-8
  • lumacaftorum
  • Lumacraftor
  • VX809
  • VX 809
  • Lumacaftor [INN]
  • VRT-826809
  • EGP8L81APK
  • Lumacaftor [USAN:INN]
  • UNII-EGP8L81APK
  • VX-809 (Lumacaftor)
  • LUMACAFTOR [MI]
  • VRT 826809
  • Lumacaftor (USAN/INN)
  • RefChem:154271
  • Lumacaftor (VX-809)
  • LUMACAFTOR [USAN]
  • LUMACAFTOR [WHO-DD]
  • MFCD16659051
  • Lumacaftor(vx-809vx809)
  • CHEBI:90951
  • MLS006011120
  • 3-(6-(1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoic acid
  • SCHEMBL377028
  • C24H18F2N2O5
  • DTXSID30239523
  • Lumacaftor(vx-809vx809)?
  • UFSKUSARDNFIRC-UHFFFAOYSA-N