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Diclofenac Acid

CAT: 0572-TRC-D436465-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D436465-1GSize:1 g
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CAS Number
15307-86-5
Synonyms
[2-[(2,6-Dichlorophenyl)amino]phenyl]acetic Acid; 2-[2-[(2,6-Dichlorophenyl)amino]phenyl]acetic Acid; Aceclofenac Imp. A (EP); Diclofenac; Acetic acid, [o-(2,6-dichloroanilino)phenyl]- (8CI); 2-(2,6-Dichloroanilino)phenylacetic acid; 2-(2,6-Dichlorophenylamino)phenylacetic acid; 2-[(2,6-Dichlorophenyl)amino]benzeneacetic acid; Dichlofenac; Diclac; Diclofenac acid; Diclofenamic acid; Diclomelan; Dicloreuma; N-(2,6-Dichlorophenyl)-o-aminophenylacetic acid; Pennsaid; Transfenac; [o-(2,6-Dichloroanilino)phenyl]acetic acid; Aceclofenac Impurity A
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl
Molecular Formula
C14 H11 Cl2 N O2
Molecular Weight
296.15
InChI
InChI=1S/C14H11Cl2NO2/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)
Additionnal Information
IUPAC name: 2-[2-(2,6-dichloroanilino)phenyl]acetic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Diclofenac

Diclofenac is a monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antipyretic, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor, a xenobiotic, an environmental contaminant and a drug allergen. It is a dichlorobenzene, a monocarboxylic acid, an amino acid, an aromatic amine and a secondary amino compound. It is functionally related to a phenylacetic acid and a diphenylamine. It is a conjugate acid of a diclofenac(1-).

CAS Number15307-86-5
PubChem CID3033
IUPAC Name2-[2-(2,6-dichloroanilino)phenyl]acetic acid
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.1
XLogP4.4
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity304
SMILES
C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C14H11Cl2NO2/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)
InChIKey
DCOPUUMXTXDBNB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diclofenac
CAS: 15307-86-5
CID: 3033
Formula: C14H11Cl2NO2
MW: 296.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.1
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass295.0166840
Monoisotopic Mass295.0166840
Topological Polar Surface Area49.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity304
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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Alternative Products

CatalogName
sc-357332Diclofenac acid
272076-01Diclofenac carboxylic acid (diclofenac metabolite)
FD30611-01Diclofenac free acid
RM-D030406-01Diclofenac Carboxylic Acid
GX8255-25gDiclofenac, free acid
AR-D01728-01Diclofenac Glyoxillic Acid
AR-Z00970-01Diclofenac Acid (Aceclofenac EP Impurity A)
MBS6058716-01Diclofenac Sodium Salt (2-((2,6-Dichlorophenyl)aminobenzeneacetic Acid)
D3540-02Diclofenac-deuterated (2- ((2,6-Dichlorophenyl) aminobenzeneacetic Acid-d4) )
MBS6070781-01Diclofenac-deuterated (2-((2,6-Dichlorophenyl)aminobenzeneacetic Acid-d4)

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