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Aceclofenac

CAT: 0127-OR1030288-04Size: 2.5 KgDry Ice: NoHazardous: No
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CAT#:0127-OR1030288-04Size:2.5 Kg
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CAS Number
89796-99-6
Synonyms
2-[2-[2- (2,6-dichloroanilino) phenyl]acetyl]oxyacetic acid
Purity
98%
Smiles
C1=CC=C(C(=C1)CC(=O)OCC(=O)O)NC2=C(C=CC=C2Cl)Cl

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
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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

Alternative Products

CatalogName
HY-B0634-01Aceclofenac
HY-B0634R-01Aceclofenac (Standard)
TRC-A130401-10MGAceclofenac-d4
TRC-A130403-10MGAceclofenac-d2
RM-A0306165-01Aceclofenac-D7

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