HYDROXYMETHYL-IVACAFTOR

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 Search

SMILES

CC(C)(C)C1=CC(=C(O)C=C1NC(=O)C2=CNC3=C(C=CC=C3)C2=O)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 `Mon Mar 31 22:44:57 GMT 2025` Edited by `admin` on `Mon Mar 31 22:44:57 GMT 2025`
Record UNII	6F3NVS9Y38
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VRT-837018

Preferred Name

English

HYDROXYMETHYL-IVACAFTOR

Common Name

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 Mon Mar 31 22:44:57 GMT 2025 , Edited by admin on Mon Mar 31 22:44:57 GMT 2025

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FDA UNII

6F3NVS9Y38

Created by admin on Mon Mar 31 22:44:57 GMT 2025 , Edited by admin on Mon Mar 31 22:44:57 GMT 2025

PRIMARY

PUBCHEM

46897962

Created by admin on Mon Mar 31 22:44:57 GMT 2025 , Edited by admin on Mon Mar 31 22:44:57 GMT 2025

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EPA CompTox

DTXSID90677144

Created by admin on Mon Mar 31 22:44:57 GMT 2025 , Edited by admin on Mon Mar 31 22:44:57 GMT 2025

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Related Record Type Details


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IVACAFTOR

PARENT -> METABOLITE ACTIVE