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Details

Stereochemistry ACHIRAL
Molecular Formula C24H26N2O5
Molecular Weight 422.4736
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IVACAFTOR CARBOXYLATE

SMILES

CC(C)(C)C1=C(NC(=O)C2=CNC3=CC=CC=C3C2=O)C=C(O)C(=C1)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 422.4736
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 Thu Jul 06 15:06:03 UTC 2023
Edited
by admin
on Thu Jul 06 15:06:03 UTC 2023
Record UNII
38WUF8D79H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IVACAFTOR CARBOXYLATE
Common Name English
IVACAFTOR METABOLITE M6
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 Thu Jul 06 15:06:03 UTC 2023 , Edited by admin on Thu Jul 06 15:06:03 UTC 2023
PRIMARY
PUBCHEM
46917263
Created by admin on Thu Jul 06 15:06:03 UTC 2023 , Edited by admin on Thu Jul 06 15:06:03 UTC 2023
PRIMARY
FDA UNII
38WUF8D79H
Created by admin on Thu Jul 06 15:06:03 UTC 2023 , Edited by admin on Thu Jul 06 15:06:03 UTC 2023
PRIMARY
EPA CompTox
DTXSID10677348
Created by admin on Thu Jul 06 15:06:03 UTC 2023 , Edited by admin on Thu Jul 06 15:06:03 UTC 2023
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> INDUCER
Strong Inducer
Related Record Type Details
PARENT -> METABOLITE INACTIVE
MAJOR