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Also known as: Ivacaftor regimen with tezacaftor, 1969264-35-4, Ivacaftor / tezacaftor, Tezacaftor / ivacaftor, Tezacaftor and ivacaftor, Ivacaftor and tezacaftor
Molecular Formula
C50H55F3N4O9
Molecular Weight
913.0  g/mol
InChI Key
NETGOEWJJZQLCO-PKLMIRHRSA-N

Ivacaftor/Tezacaftor
1 2D Structure

Ivacaftor/Tezacaftor

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-(2,4-ditert-butyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide
2.1.2 InChI
InChI=1S/C26H27F3N2O6.C24H28N2O3/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;1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h3-4,7-10,16,32-34H,5-6,11-13H2,1-2H3,(H,30,35);7-13,27H,1-6H3,(H,25,28)(H,26,29)/t16-;/m1./s1
2.1.3 InChI Key
NETGOEWJJZQLCO-PKLMIRHRSA-N
2.1.4 Canonical SMILES
CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C.CC(C)(CO)C1=CC2=CC(=C(C=C2N1CC(CO)O)F)NC(=O)C3(CC3)C4=CC5=C(C=C4)OC(O5)(F)F
2.1.5 Isomeric SMILES
CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C.CC(C)(CO)C1=CC2=CC(=C(C=C2N1C[C@H](CO)O)F)NC(=O)C3(CC3)C4=CC5=C(C=C4)OC(O5)(F)F
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Symdeko

2. Tezacaftor - Ivacaftor

3. Tezacaftor And Ivacaftor

4. Tezacaftor, Ivacaftor Drug Combination

5. Tezacaftor; Ivacaftor

2.2.2 Depositor-Supplied Synonyms

1. Ivacaftor Regimen With Tezacaftor

2. 1969264-35-4

3. Ivacaftor / Tezacaftor

4. Tezacaftor / Ivacaftor

5. Tezacaftor And Ivacaftor

6. Ivacaftor And Tezacaftor

7. Tezacaftor Mixture With Ivacaftor

8. Dtxsid401027914

9. 3-quinolinecarboxamide, N-(2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl)-1,4-dihydro-4-oxo-, Mixture With 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-n-(1-((2r)-2,3-dihydroxypropyl)-6-fluoro-2-(2-hydroxy-1,1-dimethylethyl)-1h-indol-5-yl)cyclopropanecarboxamide

2.3 Create Date
2014-02-10
3 Chemical and Physical Properties
Molecular Weight 913.0 g/mol
Molecular Formula C50H55F3N4O9
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count12
Exact Mass912.39211383 g/mol
Monoisotopic Mass912.39211383 g/mol
Topological Polar Surface Area192 Ų
Heavy Atom Count66
Formal Charge0
Complexity1530
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Drug and Medication Information
4.1 Drug Indication

Symkevi is indicated in a combination regimen with ivacaftor tablets for the treatment of patients with cystic fibrosis (CF) aged 6 years and older who are homozygous for the F508del mutation or who are heterozygous for the F508del mutation and have one of the following mutations in the cystic fibrosis transmembrane conductance regulator (CFTR) gene: P67L, R117C, L206W, R352Q, A455E, D579G, 711+3AG, S945L, S977F, R1070W, D1152H, 2789+5GA, 3272 26AG, and 3849+10kbCT.


5 Pharmacology and Biochemistry
5.1 ATC Code

R07AX31


R - Respiratory system

R07 - Other respiratory system products

R07A - Other respiratory system products

R07AX - Other respiratory system products

R07AX31 - Ivacaftor and tezacaftor


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