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15935-54-3

15935-54-3 Structure

15935-54-3 Structure
IdentificationBack Directory
[Name]

CARBOXYIBUPROFEN
[CAS]

15935-54-3
[Synonyms]

CARBOXYIBUPROFEN
Ibuprofen Carboxylic Acid
2,4(2-Carboxypropyl)phenylpropionic Acid
2-[4-(2-Carboxypropyl)phenyl]propionic Acid
CARBOXYIBUPROFEN (MIXTURE OF STEREOISOMERS)
4-(1-Carboxyethyl)-methyl-benzenepropanoic Acid
4-(1-Carboxyethyl)-a-methyl-benzenepropanoic Acid
Ibuprofen Carboxylic Acid(Mixture of Diastereomers)
3-[4-(1-Carboxyethyl)phenyl]-2-methylpropionic acid
IBUPROFEN CARBOXYLIC ACID (MIXTURE OF DIASTERIOMERS)
2-[4-(2-Methyl-3-hydroxy-3-oxopropyl)phenyl]propionic acid
[Molecular Formula]

C13H16O4
[MDL Number]

MFCD08063737
[MOL File]

15935-54-3.mol
[Molecular Weight]

236.26
Chemical PropertiesBack Directory
[Appearance]

White Solid
[Melting point ]

114-116°C
[Boiling point ]

416.2±25.0 °C(Predicted)
[density ]

1.211±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.39±0.10(Predicted)
[color ]

White to Off-White
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

The major metabolite of Ibuprofen; may reduce the risk of cataract by protecting lenticular enzymes.
[Definition]

ChEBI: A dicarboxylic acid that is ibuprofen in which one of the methyl groups in the isobutyl portion has been converted to the corresponding carboxylic acid.
[Description]

Ibuprofen carboxylic acid is a major metabolite of ibuprofen (Item Nos. 70280 | 16793 | 16794). It prevents fructose-, cyanate-, and prednisolone-induced inactivation of catalase and fructose- and cyanate-induced inactivation of fumarase when used at a concentration of 2 mM and penetrates into the lens of isolated bovine eyes. Ibuprofen carboxylic acid has been found in bank filtrate and surface water, as well as influent and effluent wastewater, and is considered a micropollutant.
[References]

[1] R F MILLS. The metabolism of ibuprofen.[J]. Xenobiotica, 1973, 3 9: 589-598. DOI: 10.3109/00498257309151547
[2] AKBAR Z SHYADEHI  John J H. Protective effects of ibuprofen and its major metabolites against in vitro inactivation of catalase and fumarase: relevance to cataract[J]. Biochimica et biophysica acta. Molecular basis of disease, 2002, 1587 1: Pages 31-35. DOI: 10.1016/s0925-4439(02)00049-2
[3] NINA HERMES. Quantification of more than 150 micropollutants including transformation products in aqueous samples by liquid chromatography-tandem mass spectrometry using scheduled multiple reaction monitoring.[J]. Journal of Chromatography A, 2018, 1531: 64-73. DOI: 10.1016/j.chroma.2017.11.020
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319
[Precautionary statements ]

P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
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