31121-93-4

Basic information

• Product Name: IBUPROFEN SODIUM SALT
• Synonyms: ALPHA-METHYL-4-[2-METHYLPROPYL]BENZENEACETIC ACID SODIUM SALT;ALPHA-METHYL-4-(ISOBUTYL)PHENYLACETIC ACID SODIUM SALT;IBUPROFEN SODIUM SALT;alpha-methyl-4-(2-methylpropyl)-benzeneaceticacisodiumsalt;ibuprofensodium;p-isobutylhydratropicacidsodiumsalt;p-isobutyl-hydratropicacisodiumsalt;sodium 2-(4-isobutylphenyl)propionate
• CAS NO: 31121-93-4
• Molecular Formula: C₁₃H₁₇O₂*Na
• Molecular Weight: 228.26
• EINECS: 250-477-6
• Mol File: 31121-93-4.mol
• Article Data: 13

Chemical Properties

• Melting Point: 110-112 °C
• Boiling Point: 319.6 °C at 760 mmHg
• Flash Point: 216.7 °C
• Appearance: white powder
• Density: 1.029g/cm³
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility: H2O: 100 mg/mL, may be clear to slightly hazy
• Stability: Stable. Incompatible with strong oxidizing agents
• CAS DataBase Reference: IBUPROFEN SODIUM SALT(CAS DataBase Reference)
• NIST Chemistry Reference: IBUPROFEN SODIUM SALT(31121-93-4)
• EPA Substance Registry System: IBUPROFEN SODIUM SALT(31121-93-4)

Safety Data

• Safety Statements: 22-24/25
• WGK Germany: 3
• RTECS: MU6641000
• Hazardous Substances Data: 31121-93-4(Hazardous Substances Data)

Usage

Chemical Properties

white powder

Application

Ibuprofen sodium salt is a useful research chemical.

InChI:InChI=1/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

Upstream product

• 15687-27-1 ibuprofen 
• 51146-56-6 (S)-ibuprofen 
• 61566-34-5 (+/-)-ibuprofen methyl ester 

Downstream Products

• 158877-63-5 2-(4-Isobutyl-phenyl)-propionic acid (benzoyl-ethoxycarbonylmethyl-amino)-methyl ester 
• 51146-56-6 (S)-ibuprofen 
• 64622-31-7 benzyl 2-(4-isobutylphenyl)propanoate 
• 146025-94-7 {Cu(C₆H₄(CH₂CH(CH₃)2)(CH(CH₃)COO))2(C₅H₅N)2(H₂O)} 
• 129219-83-6 {bis(didimethylsulfoxide)tetrakis(α-methyl-4-(isopropylmethyl)benzeneacetato)dicopper(II)} 
• 910999-43-8 {dipyridine-bis(α-methyl-4-(isopropylmethyl)benzeneacetato)copper(II)} 
• 1021878-03-4 C₁₃H₁₄⁽²⁾H₃O₂^(1-)*Na⁽¹⁺⁾ 
• 1149374-31-1 heptakis[2,3-O-propanoyl-6-O-2-(4-isobutylphenyl)propionoyl]cyclomaltoheptaose 

Relevant articles and documents

Combining ibuprofen sodium with cellulosic polymers: A deep dive into mechanisms of prolonged supersaturation

The combination of a highly soluble salt form of a drug with a polymeric precipitation inhibitor has the potential to prolong drug supersaturation even following salt disproportionation. In this study, dissolution profiles of ibuprofen sodium in the presence of various cellulosic polymers, including hydroxypropyl methylcellulose (HPMC), methylcellulose (MC), and hydroxypropyl cellulose (HPC), were examined in order to assess degree and duration of supersaturation. In addition, the roles that the polymers played in altering drug solubility, media viscosity, physical form, and particle morphology were also assessed. A deep dive into the mechanisms of supersaturation revealed that intermolecular hydrogen bonding between ibuprofen and HPMC was driving supersaturation through nucleation inhibition and crystal growth modification. Polymer viscosity was proposed as the primary factor prolonging supersaturation of ibuprofen in the presence of MC, while mechanisms other than hydrogen bonding were likely to be attributed to supersaturation with the most hydrophobic polymer evaluated, HPC. Overall, the study suggested that induction of intermolecular interactions between ibuprofen and HPMC were more effective at inhibiting nucleation and maintaining prolonged supersaturation than physical modulation of solution properties, such as viscosity.

Thermal, spectroscopic and biological studies on solid ibuprofen complexes of heavy trivalent lanthanides and yttrium

Heavy lanthanide complexes (Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu) and yttrium (III) complexes with ibuprofen ligands (Hibu) were synthesized and characterized by simultaneous thermogravimetric and differential thermal analysis (TG-DTA), differential scanning calorimetry (DSC), attenuated total reflection mid-infrared spectroscopy (ATR-MIR), complexometric titration, X-ray powder diffraction (XRD) in order to determine stoichiometry, thermal stability and the ligand coordination modes of the compounds. The volatiles released were also analyzed by online coupled thermogravimetry-infrared spectroscopy evolved gas analysis (TG-EGA-MIR), to identify the main product resulting from the heating of terbium complex. In addition, ibuprofen and the synthesized compounds were tested to assess cytotoxic/proliferative and anti-inflammatory activity. The results of the cytotoxicity assays showed that compounds [Yb(ibu)3], [Lu(ibu)3] and [Y(ibu)3] decreased the cytotoxic activity of ibuprofen. Furthermore, [Yb(ibu)3] and [Lu(ibu)3] exhibited a significant anti-inflammatory profile, superior to that of ibuprofen. Under the stimulatory effect of lipopolysaccharide, these compounds displayed anti-inflammatory activity characterized by low TNF-α and H2O2 production and high IL-10 production, emerging as interesting alternatives for further biological applications.

ARYL ALKYL CARBOXYLIC ACID SALTS, PROCESS FOR PREPARATION AND DOSAGE FORMS

The invention particularly discloses a process for preparing aryl alkyl carboxylic acid salts by preparing aqueous alkali solution, adding aryl alkyl carboxylic acid to said alkali solution at a temperature ranging from 4° to 121° C for obtaining a clear solution, preferably by heating and/or stirring and concentrating and cooling to obtain aryl alkyl carboxylic acid salt The invention therefore discloses solid oral dosage forms and compositions of aryl alkyl carboxylic acid salts which are free of organic solvent/so. The solid oral dose compositions of aryl alkyl carboxylic acid salts of the invention arc prepared in situ from aryl alkyl carboxylic acids and bases to obtain aryl acid alkyl carboxylic acid sails in crystalline/powder form with or without the use of pharmaceutical excipients.