Ibuprofen acyl-β-D-glucuronide, (RS)-

Details

Stereochemistry	EPIMERIC
Molecular Formula	C19H26O8
Molecular Weight	382.4049
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ibuprofen acyl-β-D-glucuronide, (RS)-

Structure Search

SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O

InChI

InChIKey=ABOLXXZAJIAUGR-JPMMFUSZSA-N

InChI=1S/C19H26O8/c1-9(2)8-11-4-6-12(7-5-11)10(3)18(25)27-19-15(22)13(20)14(21)16(26-19)17(23)24/h4-7,9-10,13-16,19-22H,8H2,1-3H3,(H,23,24)/t10?,13-,14-,15+,16-,19-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Ibuprofen acyl-β-D-glucuronide, (RS)-

Common Name

English

Ibuprofen glucuronide

Common Name

English

β-D-Glucopyranuronic acid, 1-[α-methyl-4-(2-methylpropyl)benzeneacetate]

Systematic Name

English

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({2-[4-(2-methylpropyl)phenyl]propanoyl}oxy)oxane-2-carboxylic acid

Systematic Name

English

(RS)-Ibuprofen acyl-β-D-glucuronide

Common Name

English

Ibuprofen-β-D-glucuronide

Common Name

English

1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-Glucopyranuronic acid

Systematic Name

English

Ibuprofen acyl-β-D-glucuronide

Common Name

English

Code System Code Type Description

CAS

115075-59-7

Created by admin on Sat Dec 16 19:46:09 GMT 2023 , Edited by admin on Sat Dec 16 19:46:09 GMT 2023

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PUBCHEM

163959

Created by admin on Sat Dec 16 19:46:09 GMT 2023 , Edited by admin on Sat Dec 16 19:46:09 GMT 2023

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FDA UNII

M8A4QU2JGT

Created by admin on Sat Dec 16 19:46:09 GMT 2023 , Edited by admin on Sat Dec 16 19:46:09 GMT 2023

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SUBSTANCE RECORD


					M8A4QU2JGT

Ibuprofen acyl-β-D-glucuronide, (RS)-