Ibuprofen carboxylic acid
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MedKoo CAT#: 574262

CAS#: 15935-54-3

Description: Ibuprofen carboxylic acid is a major metabolite of ibuprofen.


Chemical Structure

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Ibuprofen carboxylic acid
CAS# 15935-54-3

Theoretical Analysis

MedKoo Cat#: 574262
Name: Ibuprofen carboxylic acid
CAS#: 15935-54-3
Chemical Formula: C13H16O4
Exact Mass: 236.1049
Molecular Weight: 236.27
Elemental Analysis: C, 66.09; H, 6.83; O, 27.09

Price and Availability

Size Price Availability Quantity
1.0mg USD 275.0 2 Weeks
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Synonym: Carboxyibuprofen, Ibuprofen carboxylic acid

IUPAC/Chemical Name: 4-(2-carboxypropyl)-α-methyl-benzeneacetic acid

InChi Key: DIVLBIVDYADZPL-UHFFFAOYSA-N

InChi Code: InChI=1S/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)

SMILES Code: CC(C(O)=O)C1=CC=C(CC(C)C(O)=O)C=C1

Appearance: Solid powder

Purity: >98% (mixture of diastereomers)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 236.27 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

Molarity Calculator

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Reconstitution Calculator

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Dilution Calculator

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1. Mills, R.F., Adams, S.S., Cliffe, E.E., et al. The metabolism of ibuprofen. Xenobiotica 3(9), 589-598 (1973).

2. Shyadehi, A.Z., and Harding, J.J. Protective effects of ibuprofen and its major metabolites against in vitro inactivation of catalase and fumarase: Relevance to cataract. Biochim. Biophys. Acta. 1587(1), 31-35 (2002).

3. Hermes, N., Jewell, K.S., Wick, A., et al. Quantification of more than 150 micropollutants including transformation products in aqueous samples by liquid chromatography-tandem mass spectrometry using scheduled multiple reaction monitoring. J. Chromatogr. A. 1531, 64-73 (2018).