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
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.
| 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 |
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).
