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Diclofenac ethyl ester

CAT: 0804-HY-127125-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-127125-01Size:5 mg
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Description
Diclofenac ethyl ester is the prodrug of Diclofenac , that is encapsulated in polymer micelles in vitro, and released with prolonged circulation time and reduced drug concentrations in the heart and kidneys in vivo[1].
CAS Number
15307-77-4
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
COX
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/diclofenac-ethyl-ester.html
Concentration
10mM
Purity
99.28
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
ClC1=C(C(Cl)=CC=C1)N(C2=C(C=CC=C2)CC(OCC)=O)[H]
Molecular Formula
C16H15Cl2NO2
Molecular Weight
324.20
Precautions
H302, H315, H319, H335
References & Citations
[1]Al-Lawati H, et al., Delivery and Biodistribution of Traceable Polymeric Micellar Diclofenac in the Rat. J Pharm Sci. 2019 Aug;108 (8) :2698-2707.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Diclofenac Ethyl Ester
CAS Number15307-77-4
PubChem CID11381728
IUPAC Nameethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.2
XLogP5.1
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity330
SMILES
CCOC(=O)CC1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C16H15Cl2NO2/c1-2-21-15(20)10-11-6-3-4-9-14(11)19-16-12(17)7-5-8-13(16)18/h3-9,19H,2,10H2,1H3
InChIKey
YPBCAMNSNFVYQL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diclofenac Ethyl Ester
CAS: 15307-77-4
CID: 11381728
Formula: C16H15Cl2NO2
MW: 324.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.2
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass323.0479841
Monoisotopic Mass323.0479841
Topological Polar Surface Area38.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity330
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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