ATALUREN GLUCORONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H17FN2O9
Molecular Weight	460.3661
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@H]1[C@H](OC(=O)C2=CC(=CC=C2)C3=NOC(=N3)C4=C(F)C=CC=C4)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=ICFGGJVKTWGVPT-FKAQHNMISA-N

InChI=1S/C21H17FN2O9/c22-12-7-2-1-6-11(12)18-23-17(24-33-18)9-4-3-5-10(8-9)20(30)32-21-15(27)13(25)14(26)16(31-21)19(28)29/h1-8,13-16,21,25-27H,(H,28,29)/t13-,14-,15+,16-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H17FN2O9
Molecular Weight	460.3661
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:04:48 GMT 2025` Edited by `admin` on `Wed Apr 02 08:04:48 GMT 2025`
Record UNII	4GR4LS9SWP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ATALUREN GLUCORONIDE

Common Name

English

ATALUREN METABOLITE M1

Preferred Name

English

(2S,3S,4S,5R,6S)-6-(3-(5-(2-FLUOROPHENYL)-1,2,4-OXADIAZOL-3-YL)BENZOYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

4GR4LS9SWP

Created by admin on Wed Apr 02 08:04:48 GMT 2025 , Edited by admin on Wed Apr 02 08:04:48 GMT 2025

PRIMARY

PUBCHEM

91971711

Created by admin on Wed Apr 02 08:04:48 GMT 2025 , Edited by admin on Wed Apr 02 08:04:48 GMT 2025

PRIMARY

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Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC				ORAL ADMINISTRATION