ELEXACAFTOR

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H34F3N7O4S
Molecular Weight	597.655
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ELEXACAFTOR

Structure Search

SMILES

C[C@@]1([H])CC(C)(C)N(C1)c2c(ccc(n2)-n3ccc(n3)OCC(C)(C)C(F)(F)F)C(=NS(=O)(=O)c4cn(C)nc4C)O

InChI

InChIKey=MVRHVFSOIWFBTE-INIZCTEOSA-N

InChI=1S/C26H34F3N7O4S/c1-16-12-25(5,6)35(13-16)22-18(23(37)33-41(38,39)19-14-34(7)31-17(19)2)8-9-20(30-22)36-11-10-21(32-36)40-15-24(3,4)26(27,28)29/h8-11,14,16H,12-13,15H2,1-7H3,(H,33,37)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H34F3N7O4S
Molecular Weight	597.655
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Jun 26 07:48:30 UTC 2021` Edited by `admin` on `Sat Jun 26 07:48:30 UTC 2021`
Record UNII	RRN67GMB0V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ELEXACAFTOR

Official Name

English

ELEXACAFTOR [USAN]

Common Name

English

ELEXACAFTOR [WHO-DD]

Common Name

English

VX-445

Code

English

ELEXACAFTOR [INN]

Common Name

English

3-PYRIDINECARBOXAMIDE, N-((1,3-DIMETHYL-1H-PYRAZOL-4-YL)SULFONYL)-6-(3-(3,3,3-TRIFLUORO-2,2-DIMETHYLPROPOXY)-1H-PYRAZOL-1-YL)-2-((4S)-2,2,4-TRIMETHYL-1-PYRROLIDINYL)-

Code

English

TRIKAFTA COMPONENT ELEXACAFTOR

Brand Name

English

ELEXACAFTOR COMPONENT OF TRIKAFTA

Brand Name

English

ELEXACAFTOR [ORANGE BOOK]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

647618

Created by admin on Sat Jun 26 07:48:31 UTC 2021 , Edited by admin on Sat Jun 26 07:48:31 UTC 2021

EU-Orphan Drug

EU/3/18/2116

Created by admin on Sat Jun 26 07:48:31 UTC 2021 , Edited by admin on Sat Jun 26 07:48:31 UTC 2021

Code System Code Type Description

DRUG BANK

DB15444

Created by admin on Sat Jun 26 07:48:31 UTC 2021 , Edited by admin on Sat Jun 26 07:48:31 UTC 2021

PRIMARY

PUBCHEM

134587348

Created by admin on Sat Jun 26 07:48:31 UTC 2021 , Edited by admin on Sat Jun 26 07:48:31 UTC 2021

PRIMARY

RXCUI

2256951

Created by admin on Sat Jun 26 07:48:31 UTC 2021 , Edited by admin on Sat Jun 26 07:48:31 UTC 2021

PRIMARY

INN

11180

Created by admin on Sat Jun 26 07:48:31 UTC 2021 , Edited by admin on Sat Jun 26 07:48:31 UTC 2021

PRIMARY

FDA UNII

RRN67GMB0V

Created by admin on Sat Jun 26 07:48:31 UTC 2021 , Edited by admin on Sat Jun 26 07:48:31 UTC 2021

PRIMARY

DRUG CENTRAL

5372

Created by admin on Sat Jun 26 07:48:31 UTC 2021 , Edited by admin on Sat Jun 26 07:48:31 UTC 2021

PRIMARY

CAS

2216712-66-0

Created by admin on Sat Jun 26 07:48:31 UTC 2021 , Edited by admin on Sat Jun 26 07:48:31 UTC 2021

PRIMARY

LACTMED

Elexacaftor, Tezacaftor and Ivacaftor

Created by admin on Sat Jun 26 07:48:31 UTC 2021 , Edited by admin on Sat Jun 26 07:48:31 UTC 2021

PRIMARY

NCI_THESAURUS

C169935

Created by admin on Sat Jun 26 07:48:31 UTC 2021 , Edited by admin on Sat Jun 26 07:48:31 UTC 2021

PRIMARY

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ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC