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Aceclofenac

CAT: 0931-T1421-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T1421-02Size:1 g
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CAS Number
89796-99-6
Target
COX
Related Pathways
Immunology/Inflammation, Neuroscience
Purity
>99.99%
Bioactivity
Aceclofenac (Preservex) is a non-steroidal anti-inflammatory drug (NSAID) with marked anti-inflammatory and analgesic properties.
Smiles
N(C1=C(CC(OCC(O)=O)=O)C=CC=C1)C2=C(Cl)C=CC=C2Cl
Molecular Formula
C16H13Cl2NO4
Molecular Weight
354.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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