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Details

Stereochemistry ACHIRAL
Molecular Formula C24H28N2O4
Molecular Weight 408.4901
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROXYMETHYL-IVACAFTOR

SMILES

CC(C)(C)C1=C(NC(=O)C2=CNC3=CC=CC=C3C2=O)C=C(O)C(=C1)C(C)(C)CO

InChI

InChIKey=HFNOECBPRSJRQD-UHFFFAOYSA-N
InChI=1S/C24H28N2O4/c1-23(2,3)16-10-17(24(4,5)13-27)20(28)11-19(16)26-22(30)15-12-25-18-9-7-6-8-14(18)21(15)29/h6-12,27-28H,13H2,1-5H3,(H,25,29)(H,26,30)

HIDE SMILES / InChI

Molecular Formula C24H28N2O4
Molecular Weight 408.4901
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 15:06:02 UTC 2023
Edited
by admin
on Thu Jul 06 15:06:02 UTC 2023
Record UNII
6F3NVS9Y38
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYDROXYMETHYL-IVACAFTOR
Common Name English
VRT-837018
Code English
IVACAFTOR METABOLITE M1
Common Name English
IVACAFTOR (M1)
Common Name English
3-QUINOLINECARBOXAMIDE, N-(2-(1,1-DIMETHYLETHYL)-5-HYDROXY-4-(2-HYDROXY-1,1-DIMETHYLETHYL)PHENYL)-1,4-DIHYDRO-4-OXO-
Systematic Name English
Code System Code Type Description
CAS
1246213-23-9
Created by admin on Thu Jul 06 15:06:02 UTC 2023 , Edited by admin on Thu Jul 06 15:06:02 UTC 2023
PRIMARY
FDA UNII
6F3NVS9Y38
Created by admin on Thu Jul 06 15:06:02 UTC 2023 , Edited by admin on Thu Jul 06 15:06:02 UTC 2023
PRIMARY
PUBCHEM
46897962
Created by admin on Thu Jul 06 15:06:02 UTC 2023 , Edited by admin on Thu Jul 06 15:06:02 UTC 2023
PRIMARY
EPA CompTox
DTXSID90677144
Created by admin on Thu Jul 06 15:06:02 UTC 2023 , Edited by admin on Thu Jul 06 15:06:02 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
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