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CHEBI:234517 - Tezacaftor

Default Structure
ChEBI IDCHEBI:234517
ChEBI NameTezacaftor
Stars
DefinitionA CFTR (cystic fibrosis transmembrane conductance regulator) corrector used to treat cystic fibrosis in patients with susceptible mutations.
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC26H27F3N2O6
Net Charge0
Average Mass520.504
Monoisotopic Mass520.18212
SMILESCC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO
InChIInChI=1S/C26H27F3N2O6/c1-24(2,13-33)22-8-14-7-18(17(27)10-19(14)31(22)11-16(34)12-32)30-23(35)25(5-6-25)15-3-4-20-21(9-15)37-26(28,29)36-20/h3-4,7-10,16,32-34H,5-6,11-13H2,1-2H3,(H,30,35)/t16-/m1/s1
InChIKeyMJUVRTYWUMPBTR-MRXNPFEDSA-N
ChEBI Ontology
Outgoing Relation(s)
Tezacaftor (CHEBI:234517) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)-N-{1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl}cyclopropane-1-carboxamide
Brand Names  Source
AlyftrekSUBMITTER
KaftrioSUBMITTER
SymdekoSUBMITTER
SymkeviSUBMITTER
TrikaftaSUBMITTER
Manual XrefsDatabases
D11041KEGG DRUG
DB11712DrugBank
Registry NumbersSources
CAS:1152311-62-0SUBMITTER