1-Hydroxy-ibuprofen , CAS No.53949-53-4

CAS: 53949-53-4 Cat. No.: H1432749 Formule: C13H18O3 Numéro CE: 641-458-7 PubChem CID: 45117195

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

1-Hydroxy Ibuprofen is a metabolite of Ibuprofen in P. australis. Ibuprofen is an anti-inflammatory inhibitor targeting COX-1 and COX-2 with IC 50 s of 13 μM and 370 μM, respectively.

Specifications

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Noms et identifiants

Sourires canoniques

CC(C)C(C1=CC=C(C=C1)C(C)C(=O)O)O

IUPAC Name

2-[4-(1-hydroxy-2-methylpropyl)phenyl]propanoic acid

InChIKey

RMOQYHYFRKTDRI-UHFFFAOYSA-N

INCHI

1S/C13H18O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9,12,14H,1-3H3,(H,15,16)

Isomères SMILES

CC(C)C(C1=CC=C(C=C1)C(C)C(=O)O)O

PubChem CID

45117195

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Monocyclic monoterpenoids Aromatic monoterpenoids Phenylpropanes Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-phenylpropanoic-acid - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Monocyclic monoterpenoid - Phenylpropane - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organooxygen compound - Aromatic alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Foire aux questions

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 53949-53-4, the molecular formula is C13H18O3. InChIKey RMOQYHYFRKTDRI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.