POSENACAFTOR SODIUM

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H26NO5.Na
Molecular Weight	467.4888
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].C[C@@H](OC1=CC=C(C)C2=NC(=CC(C([O-])=O)=C12)C3=C(C)C4=C(O3)C=CC=C4)C5CCOCC5

InChI

InChIKey=FIMNRWQYZVDFTK-UNTBIKODSA-M

InChI=1S/C27H27NO5.Na/c1-15-8-9-23(32-17(3)18-10-12-31-13-11-18)24-20(27(29)30)14-21(28-25(15)24)26-16(2)19-6-4-5-7-22(19)33-26;/h4-9,14,17-18H,10-13H2,1-3H3,(H,29,30);/q;+1/p-1/t17-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C27H26NO5
Molecular Weight	444.499
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
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 `Tue Apr 01 23:06:42 GMT 2025` Edited by `admin` on `Tue Apr 01 23:06:42 GMT 2025`
Record UNII	DJC89RV1GS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

POSENACAFTOR SODIUM

Common Name

English

PTI-801 SODIUM

Preferred Name

English

4-QUINOLINECARBOXYLIC ACID, 8-METHYL-2-(3-METHYL-2-BENZOFURANYL)-5-((1R)-1-(TETRAHYDRO-2H-PYRAN-4-YL)ETHOXY)-, SODIUM SALT (1:1)

Systematic Name

English

SODIUM (R)-8-METHYL-2-(3-METHYLBENZOFURAN-2-YL)-5-(1-(TETRAHYDRO-2H-PYRAN-4- YL)ETHOXY)QUINOLINE-4-CARBOXYLATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

135350953

Created by admin on Tue Apr 01 23:06:42 GMT 2025 , Edited by admin on Tue Apr 01 23:06:42 GMT 2025

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CAS

2095064-06-3

Created by admin on Tue Apr 01 23:06:42 GMT 2025 , Edited by admin on Tue Apr 01 23:06:42 GMT 2025

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SMS_ID

300000025631

Created by admin on Tue Apr 01 23:06:42 GMT 2025 , Edited by admin on Tue Apr 01 23:06:42 GMT 2025

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FDA UNII

DJC89RV1GS

Created by admin on Tue Apr 01 23:06:42 GMT 2025 , Edited by admin on Tue Apr 01 23:06:42 GMT 2025

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