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Diclofenac Sodium

CAT: 1568-C08129-01Size: 50 mgDry Ice: YesHazardous: No
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CAT#:1568-C08129-01Size:50 mg
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CAS Number
15307-79-6
Synonyms
GP 45840
SKU
C08129-200mg
Target
COX
Applications
Neuronal Signaling
Smiles
C1=CC=C (C (=C1) CC (=O) [O-]) NC2=C (C=CC=C2Cl) Cl.[Na+]
Molecular Formula
C14H10Cl2NNaO2
Additionnal Information
Diclofenac Sodium (GP 45840) is a non-selective COX inhibitor with IC50 of 0.5 μg/ml and 0.5 μg/ml for COX-1 and -2 in intact cells, respectively, used as a nonsteroidal anti-inflammatory drug (NSAID) to relieve pain and reduce swelling in flammation.
Storage Conditions
2 years -80 in solvent

Chemical Information

Diclofenac sodium

Diclofenac sodium is the sodium salt of diclofenac. It contains a diclofenac(1-).

CAS Number15307-79-6
PubChem CID5018304
IUPAC Namesodium 2-[2-(2,6-dichloroanilino)phenyl]acetate
Molecular FormulaC14H10Cl2NNaO2
Molecular Weight318.1
Topological Polar Surface Area52.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity310
SMILES
C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+]
InChI
InChI=1S/C14H11Cl2NO2.Na/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1
InChIKey
KPHWPUGNDIVLNH-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Diclofenac sodium
CAS: 15307-79-6
CID: 5018304
Formula: C14H10Cl2NNaO2
MW: 318.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight318.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass316.9986282
Monoisotopic Mass316.9986282
Topological Polar Surface Area52.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity310
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes