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About This Item
Empirical Formula (Hill Notation):
C13H18O2
CAS Number:
Molecular Weight:
206.28
NACRES:
NA.21
PubChem Substance ID:
UNSPSC Code:
12352106
EC Number:
239-784-6
MDL number:
Quality Level
agency
USP/NF, meets USP testing specifications
form
solid
application(s)
pharmaceutical (small molecule)
SMILES string
CC(C)Cc1ccc(cc1)C(C)C(O)=O
InChI
1S/C13H18O2/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)
InChI key
HEFNNWSXXWATRW-UHFFFAOYSA-N
Gene Information
human ... ALB(213), ALOX5(240), CYP1A2(1544), CYP2C9(1559), IL8RA(3577), PTGS1(5742), PTGS2(5743)
mouse ... Alox5(11689)
rat ... Alox5(25290), Ptgs1(24693)
Application
- A Case of Erythema Nodosum in a 20-Year-Old Female During the Postpartum Period.: Details a clinical case where ibuprofen was implicated in the treatment of erythema nodosum, offering insights into its therapeutic applications and associated risks (Nguyen M et al., 2024).
- Coracoclavicular Joint Arthrosis - An Uncommon Cause of Shoulder Pain.: Investigates the use of ibuprofen in managing pain associated with rare joint disorders, contributing to broader understanding of pain management in orthopedic conditions (Graça NNJ et al., 2024).
Biochem/physiol Actions
Cyclooxygenase (COX) inhibitor that has greater activity against COX-1 than against COX-2.
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signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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R O Day et al.
Clinical pharmacology and therapeutics, 43(5), 480-487 (1988-05-01)
The simultaneous disposition of the enantiomers of ibuprofen in synovial fluid and plasma was studied in eight patients with arthritis. Concentrations of the active S-enantiomer in synovial fluid exceeded those of the R-enantiomer at all times in all patients with
Bart Van Overmeire et al.
Lancet (London, England), 364(9449), 1945-1949 (2004-11-30)
Ibuprofen is used for treatment and prevention of patent ductus arteriosus in low-birthweight infants. Its effects on regional circulations differ from those of indometacin. Because prophylactic indometacin reduces the frequency of severe intraventricular haemorrhage and patent ductus arteriosus, we aimed
Zhangjian Huang et al.
Journal of medicinal chemistry, 54(5), 1356-1364 (2011-02-02)
The carboxylic acid group of the anti-inflammatory (AI) drugs indo-methacin, (S)-naproxen and ibuprofen was covalently linked via a two-carbon ethyl spacer to a sulfohydroxamic acid moiety (CH(2)CH(2)SO(2)NHOH) to furnish a group of hybrid ester prodrugs that release nitric oxide (NO)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| I7905-10G | 04061833858400 |
| I7905-1G | 04061833858417 |
| I7905-5G | 04061833858424 |
