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Substance Name: Elexacaftor [USAN]
RN: 2216712-66-0
UNII: RRN67GMB0V
InChIKey: MVRHVFSOIWFBTE-INIZCTEOSA-N

Note

  • Cystic fibrosis transmembrane conductance regulator (CFTR) corrector designed to restore Phe508del CFTR protein function in patients with cystic fibrosis when administered with tezacaftor and ivacaftor.

Molecular Formula

  • C26-H34-F3-N7-O4-S

Molecular Weight

  • 597.6596
 

Classification Codes

  • Chloride Channel Agonists
  • Membrane Transport Modulators
  • Treatment of Cystic Fibrosis
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Names and Synonyms

Name of Substance

  • Elexacaftor [USAN]
  • VX-445

Synonyms

  • 3-Pyridinecarboxamide, N-((1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl)-6-(3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl)-2-((4S)-2,2,4-trimethyl-1-pyrrolidinyl)-
  • Elexacaftor
  • UNII-RRN67GMB0V
  • VX-445
  • WHO 11180

Registry Numbers

CAS Registry Number

  • 2216712-66-0

FDA UNII

  • RRN67GMB0V

System Generated Number

  • 2216712660

Structure Descriptors

InChI

InChI=1S/C26H34F3N7O4S/c1-16-12-25(5,6)35(13-16)22-18(23(37)33-41(38,39)19-14-34(7)31-17(19)2)8-9-20(30-22)36-11-10-21(32-36)40-15-24(3,4)26(27,28)29/h8-11,14,16H,12-13,15H2,1-7H3,(H,33,37)/t16-/m0/s1

InChIKey

MVRHVFSOIWFBTE-INIZCTEOSA-N

Smiles

C[C@@H]1CN(c2nc(ccc2C(=O)NS(=O)(=O)c3cn(C)nc3C)n4ccc(OCC(C)(C)C(F)(F)F)n4)C(C)(C)C1