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Aceclofenac (Standard)

CAT: 0804-HY-B0634R-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0634R-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Aceclofenac (Standard) is the analytical standard of Aceclofenac. This product is intended for research and analytical applications. Aceclofenac is an orally active nonsteroidal anti-inflammatory agent (NSAID), with analgesic and anti-inflammatory properties. Aceclofenac is used for the research of osteoarthritis, ankylosing spondylitis, rheumatoid arthritis[1][2].
CAS Number
89796-99-6
UNSPSC
12352005
Target
COX; Reference Standards
Type
Reference Standards
Related Pathways
Immunology/Inflammation; Others
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/aceclofenac-standard.html
Smiles
O=C(OCC(O)=O)CC1=CC=CC=C1NC2=C(Cl)C=CC=C2Cl
Molecular Formula
C16H13Cl2NO4
Molecular Weight
354.18
References & Citations
[1]Y Henrotin, et al. In vitro effects of aceclofenac and its metabolites on the production by chondrocytes of inflammatory mediators. Inflamm Res. 2001 Aug;50 (8) :391-9.|[2]E Maneiro, et al. Aceclofenac increases the synthesis of interleukin 1 receptor antagonist and decreases the production of nitric oxide in human articular chondrocytes. J Rheumatol. 2001 Dec;28 (12) :2692-9.|[3]E Maneiro, et al. Keumhan Noh, et al. Absolute bioavailability and metabolism of aceclofenac in rats. Arch Pharm Res. 2015 Jan;38 (1) :68-72.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Aceclofenac

Aceclofenac is a monocarboxylic acid that is the carboxymethyl ester of diclofenac. A non-steroidal anti-inflammatory drug related to diclofenac, it is used in the management of osteoarthritis, rheumatoid arthritis, and ankylosing spondylitis. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic and an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It is a dichlorobenzene, a monocarboxylic acid, a carboxylic ester, an amino acid and a secondary amino compound. It is functionally related to a diclofenac.

CAS Number89796-99-6
PubChem CID71771
IUPAC Name2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetic acid
Molecular FormulaC16H13Cl2NO4
Molecular Weight354.2
XLogP4.3
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity411
SMILES
C1=CC=C(C(=C1)CC(=O)OCC(=O)O)NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21)
InChIKey
MNIPYSSQXLZQLJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aceclofenac
CAS: 89796-99-6
CID: 71771
Formula: C16H13Cl2NO4
MW: 354.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.2
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass353.0221633
Monoisotopic Mass353.0221633
Topological Polar Surface Area75.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity411
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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