Acetylsalicylic acid acyl-?-D-glucuronide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H16O10
Molecular Weight	356.2815
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Acetylsalicylic acid acyl-?-D-glucuronide

Structure Search

SMILES

CC(=O)OC1=C(C=CC=C1)C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O

InChI

InChIKey=VHJPVKQXMOFZPM-HJHSNUOESA-N

InChI=1S/C15H16O10/c1-6(16)23-8-5-3-2-4-7(8)14(22)25-15-11(19)9(17)10(18)12(24-15)13(20)21/h2-5,9-12,15,17-19H,1H3,(H,20,21)/t9-,10-,11+,12-,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H16O10
Molecular Weight	356.2815
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 17:54:46 GMT 2025` Edited by `admin` on `Wed Apr 02 17:54:46 GMT 2025`
Record UNII	BD9AP45L8Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Acetylsalicylic Acid Acyl-D-Glucuronide

Preferred Name

English

Acetylsalicylic acid acyl-?-D-glucuronide

Common Name

English

Glucopyranuronic acid, 1-salicylate monoacetate, ?-D-

Systematic Name

English

?-D-Glucopyranuronic acid, 1-[2-(acetyloxy)benzoate]

Systematic Name

English

Salicylic acid acetate, 1-ester with ?-D-glucopyranosiduronic acid

Systematic Name

English

Code System Code Type Description

PUBCHEM

29971035

Created by admin on Wed Apr 02 17:54:46 GMT 2025 , Edited by admin on Wed Apr 02 17:54:46 GMT 2025

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FDA UNII

BD9AP45L8Y

Created by admin on Wed Apr 02 17:54:46 GMT 2025 , Edited by admin on Wed Apr 02 17:54:46 GMT 2025

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CAS

24719-72-0

Created by admin on Wed Apr 02 17:54:46 GMT 2025 , Edited by admin on Wed Apr 02 17:54:46 GMT 2025

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EPA CompTox

DTXSID80652420

Created by admin on Wed Apr 02 17:54:46 GMT 2025 , Edited by admin on Wed Apr 02 17:54:46 GMT 2025

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