The product has a water specification of less than or equal to 15% which is reported on the lot-specific Certificate of Analysis. If a lot is 13.5% water by mass, this equates to 1.98 moles of water. and could be considered approximately dihydrate. The specification allows for lots with lesser water content, but historically, most or all lots fall between 12.5 and 14.5% water, indicating the dihydrate form.
I1892
Ibuprofen sodium salt
≥98% (GC)
Synonym(s):
α-Methyl-4-(isobutyl)phenylacetic acid
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About This Item
Linear Formula:
C13H17O2Na
CAS Number:
Molecular Weight:
228.26
EC Number:
MDL number:
UNSPSC Code:
41116107
PubChem Substance ID:
NACRES:
NA.24
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grade
analytical standard
Quality Level
Assay
≥98% (GC)
technique(s)
HPLC: suitable
gas chromatography (GC): suitable
solubility
H2O: 100 mg/mL, clear to slightly hazy
application(s)
forensics and toxicology
pharmaceutical (small molecule)
format
neat
SMILES string
[Na+].CC(C)Cc1ccc(cc1)C(C)C([O-])=O
InChI
1S/C13H18O2.Na/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);/q;+1/p-1
InChI key
PTTPUWGBPLLBKW-UHFFFAOYSA-M
Gene Information
human ... PTGS1(5742) , PTGS2(5743)
General description
Application
Ibuprofen sodium salt may be used as a model drug to study the intercalation mechanism via ion exchange reaction between ibuprofen and a biocompatible hydrotalcite compound.[3]
Ibuprofen sodium salt may be used as an analytical reference standard for the qualification of the analyte in wastewaters using high-performance liquid chromatography (HPLC).[1]
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Biochem/physiol Actions
Cyclooxygenase (COX) inhibitor that has greater activity against COX-1 than against COX-2.
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Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Chromatograms
suitable for GCapplication for HPLC-
Can you please confirm if your product Ibuprofen sodium salt (Product No. (I1892); CAS 31121-93-4) is the standard dihydrate form?
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