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Details

Stereochemistry ACHIRAL
Molecular Formula C24H26N2O5
Molecular Weight 422.4746
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IVACAFTOR CARBOXYLATE

SMILES

CC(C)(C)c1cc(c(cc1N=C(c2c[nH]c3ccccc3c2=O)O)O)C(C)(C)C(=O)O

InChI

InChIKey=JYPYTFLCNPMVBC-UHFFFAOYSA-N
InChI=1S/C24H26N2O5/c1-23(2,3)15-10-16(24(4,5)22(30)31)19(27)11-18(15)26-21(29)14-12-25-17-9-7-6-8-13(17)20(14)28/h6-12,27H,1-5H3,(H,25,28)(H,26,29)(H,30,31)

HIDE SMILES / InChI

Molecular Formula C24H26N2O5
Molecular Weight 422.4746
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 09:58:17 UTC 2021
Edited
by admin
on Sat Jun 26 09:58:17 UTC 2021
Record UNII
38WUF8D79H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IVACAFTOR CARBOXYLATE
Common Name English
IVACAFTOR (M6)
Common Name English
BENZENEACETIC ACID, 4-(((1,4-DIHYDRO-4-OXO-3-QUINOLINYL)CARBONYL)AMINO)-5-(1,1-DIMETHYLETHYL)-2-HYDROXY-.ALPHA.,.ALPHA.-DIMETHYL-
Systematic Name English
VRT-842917
Code English
Code System Code Type Description
CAS
1246213-24-0
Created by admin on Sat Jun 26 09:58:17 UTC 2021 , Edited by admin on Sat Jun 26 09:58:17 UTC 2021
PRIMARY
PUBCHEM
46917263
Created by admin on Sat Jun 26 09:58:17 UTC 2021 , Edited by admin on Sat Jun 26 09:58:17 UTC 2021
PRIMARY
FDA UNII
38WUF8D79H
Created by admin on Sat Jun 26 09:58:17 UTC 2021 , Edited by admin on Sat Jun 26 09:58:17 UTC 2021
PRIMARY
EPA CompTox
1246213-24-0
Created by admin on Sat Jun 26 09:58:17 UTC 2021 , Edited by admin on Sat Jun 26 09:58:17 UTC 2021
PRIMARY
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