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Hydroxyibuprofen

Hydroxyibuprofen structure

CAS No:
51146-55-5
Formula:
C13H18O3
Chemical Name:
Hydroxyibuprofen
Synonyms:
Benzeneacetic acid,4-(2-hydroxy-2-methylpropyl)-α-methyl-;4-(2-Hydroxy-2-methylpropyl)-α-methylbenzeneacetic acid;2-[4-(2-Hydroxy-2-methylpropyl)phenyl]propionic acid;2,4′-(2-Hydroxy-2-methylpropyl)phenylpropionic acid;Hydroxyibuprofen;Ibuprofen OH;2-[4-(2-Hydroxy-2-methylpropyl)phenyl]propanoic acid;2-Hydroxyibuprofen;87038-86-6
Categories:
Analytical Chemistry > Analysis Reagents

Description

2-Hydroxy Ibuprofen is a metabolite of Ibuprofen. Ibuprofen is an anti-inflammatory inhibitor targeting COX-1 and COX-2 with IC50s of 13 μM and 370 μM, respectively.

2-hydroxyibuprofen is a hydroxy monocarboxylic acid that is ibuprofen in which the methine proton on the isobutyl group has been replaced by a hydroxy group. It has a role as a drug metabolite. It is a hydroxy monocarboxylic acid and a tertiary alcohol.

Hydroxyibuprofen Basic Attributes

Molecular Weight：

222.28

Exact Mass：

222.28

HScode：

2918199090

Characteristics

PSA：

57.5

XLogP3：

2.18810

Density：

1.125 g/cm3

Melting Point：

120-122 °C @ Solvent: Cyclohexane

Boiling Point：

369.4ºC at 760 mmHg

Refractive Index：

1.543

Storage Conditions：

-20°C Freezer

Collision Cross Section：

151.94 Å² [M+Na]+

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

GHS Classification：

|Warning|H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

hydroxyibuprofen

Hydroxyibuprofen Use and Manufacturing

A human metabolite of Ibuprofen

Computed Properties

Molecular Weight:222.28
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:222.125594432
Monoisotopic Mass:222.125594432
Topological Polar Surface Area:57.5
Heavy Atom Count:16
Complexity:240
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Hydroxyibuprofen

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Hydroxyibuprofen

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