Structure of Diclofenac (C14H11Cl2NO2)
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Chemical Formula | C14H11Cl2NO2 |
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Molecular Weight | 296.14804 g/mol |
IUPAC Name | 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid |
SMILES String | OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl |
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 |
Citation | CC-DPS (Chemical Compounds Deep Profiling Services; https://www.cc-dps.com) powered by 41 patented QSQN technology based on Quantum Chemistry, Statistical Thermodynamics, Quantitative Structure-Property Relationship (QSPR), and Neural Network. |
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Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The diclofenac molecule contains a total of 31 bond(s). There are 20 non-H bond(s), 13 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 secondary amine(s) (aromatic), and 1 hydroxyl group(s). Images of the chemical structure of diclofenac are given below:
The 2D chemical structure image of diclofenac is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of diclofenac are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of diclofenac is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of diclofenac. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of diclofenac is provided here.
The diclofenac molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the diclofenac molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of diclofenac can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying Diclofenac Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of diclofenac
The SMILES string of diclofenac is OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the diclofenac.
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Structure Data File (SDF/MOL File) of diclofenac
The structure data file (SDF/MOL File) of diclofenac is available for download in the SDF page of diclofenac, which provides the information about the atoms, bonds, connectivity and coordinates of diclofenac. The diclofenac structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of diclofenac
The molecular formula of diclofenac is available in chemical formula page of diclofenac, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of diclofenac
The molecular weight of diclofenac is available in molecular weight page of diclofenac, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of diclofenac
The diclofenac compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of diclofenac including the various registry numbers, if available:
- Cataflamreg
- Arthrotec
- EN300-119509
- Voltarolreg
- Voltarenreg
- [2-(2,6-Dichloroanilino)phenyl]-acetic acid; 2-[2-(2,6-Dichlorophenyl)aminophenyl]ethanoic acid
- F0722-0745
- Acetic acid, [o-(2,6-dichloroanilino)phenyl]- (8CI)
- Z57664869
- 2-[2-(2,6-dichlorophenylamino)-phenyl]-acetic acid
- 1-[(3,4-Dichlorophenyl)methyl]-1H-indole-2,3-dione
- 2-[2-(2,6-dichlorophenylamino)phenyl]-acetic acid
- 2-[(2,6-dichlorophenyl)-amino]-phenyl-acetic acid
- 2-[(2,6-dichlorophenyl)-amino]-benzeneacetic acid
- 2-[2-(2,6-Dichlorophenylamino)phenyl]acetic acid
- 2-[(2,6-dichlorophenyl)amino]-phenyl-acetic acid
- Diclofenac Sodium Delayed Release Delayed Release
- AB01275502-01
- 2-[(2,6-dichlorophenyl)amino]phenylacetic acid
- [o-(2,6-dichloro-anilino)-phenyl]-acetic acid
- M-7482
- [2-(2,6-Dichloroanilino)phenyl]acetic acid #
- 2-(2,6-Dichlorophenylamino)phenylacetic acid
- (2,6-Dichlorophenyl)amino]benzeneacetic acid
- SBI-0051341.P003
- o-(2,6-dichloroanilino)phenylacetic acid
- Diclofenac Sodium Topical Solution 1.5%
- MFCD00056694
- ANW-21433
- Riva-diclofenac 100mg SR Tablets
- Nu-diclo Enteric Coated Tab 50mg
- Nu-diclo Enteric Coated Tab 25mg
- 144O8QL0L1
- Diclofenac Sodium Extended-release
- Riva-diclofenac 75mg SR Tablets
- Diclofenac Sodium Delayed Release
- Apo-diclo Rapide 50 Mg Tablets
- BDBM13066
- Riva-diclofenac-K 50mg Tablets
- henyl)-o-aminophenylacetic acid
- GTPL2714
- Nu-diclo SR - Srt 100mg
- Voltaren Rapide Tablets 50mg
- Riva-diclofenac 50mg Tablets
- Nu-diclo SR - Srt 75mg
- Epitope ID:116873
- Diclofenac Topical Solution
- Taro-diclofenac Tab 50mg
- Taro-diclofenac Tab 25mg
- Voltaren SR Tab 100mg
- Pro-diclo Rapide - 50
- Penta-diclofenac - 50mg
- Penta-diclofenac - 25mg
- Ntp-diclofenac Sodium SR
- Diclofenac (USAN/INN)
- [o-(2,6-Dichloroanilino)phenyl]acetic acid
- Apo-diclofenac Ophthalmic
- Sandoz-diclofenac Rapide
- Ntp-diclofenac Potassium
- Voltaren SR 75 Tab
- N-(2,6-Dichlorop
- Diclofenac Sodium D/r
- Vofenal 0.1%
- Voltaren Sup 100mg
- Diclofenac Ect 50mg
- Diclofenac Ect 25mg
- Ntp-diclofenac Sodium
- Sandoz-diclofenac SR
- Diclofenac Sodium Dr
- Voltaren Tab 50mg
- Voltaren Tab 25mg
- Voltaren Sup 50mg
- PMS-diclofenac-SR
- Diclofenac (INN)
- Zorvolex (TN)
- Teva-diclofenac SR
- Teva-diclofenac EC
- Dom-diclofenac-SR
- Ava-diclofenac SR
- PMS-diclofenac K
- Teva-diclofenac-K
- Apo-diclo SR
- Sandoz Diclofenac
- Voltaren XR
- Sandoz-diclofenac
- Nu-diclo Rapide
- Voltaren Emulgel
- Diclofenac-SR
- Diclofenac SR
- Diclofenac EC
- PMS-diclofenac
- Diclofenac K
- Rho-diclofenac
- Dom-diclofenac
- Ava-diclofenac
- Apo-diclofenac
- Teva-diclofenac
- Taro-diclofenac
- Diclac
- Voltaflan
- Diclotec
- Aclonac
- Transfenac
- Dicloreuma
- Diclomelan
- Diciofenac
- CGP-45840B
- Diclofenac hydroxyethylpyrrolidine
- Zorvolex
- Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)- (9CI)
- I14-7739
- BRD-K08252256-236-05-6
- 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid
- DIF
- 2-[(2,6-dichlorophenyl)amino]-benzeneacetic acid
- D30801
- D07816
- D3748
- diclofenac epolamine
- Diclofenac calcium
- 15307-81-0 (mono-potassium salt)
- Zipsor
- Cambia
- Flector
- HMS2090C10
- ISV-205
- 2b17
- 2-[2-(2,6-dichloroanilino)phenyl]acetic acid
- HMS501E04
- [2-(2,6-Dichloroanilino)phenyl]acetic acid
- GP-45,840
- BIDD:GT0380
- 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID
- Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-
- 2-[(2,6-Dichlorophenyl)amino]benzeneacetic acid
- Voltaren ophthalmic
- ACETIC ACID, (o-(2,6-DICHLOROANILINO)PHENYL)-
- {2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid
- Allvoran
- Prophenatin
- Solaraze (TN)
- Diclofenac resinate
- Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-
- Novo-Difenac SR
- Voltaren SR
- Diclofenamic acid
- Solaraze T
- Diclo-Puren
- Novo-Difenac
- Voltaren Rapide
- Diclo-Phlogont
- Xenid
- Voldal
- Dolobasan
- Dicloreum
- Diclord
- Benfofen
- Assaren
- Duravolten
- Diclobenin
- Voltaren-XR
- 2-((2,6-Dichlorophenyl)amino)benzeneacetic acid
- Diclofenaco [INN-Spanish]
- Diclofenacum [INN-Latin]
- Nu-Diclo
- Diclofenac [INN:BAN]
- 2-(2,6-Dichloroanilino)phenylacetic Acid
- Apo-Diclo
- Diclonate P
- Voltaren Ophtha
- Rhumalgan
- Primofenac
- Orthofen
- Effekton
- Ecofenac
- Dyloject
- Dicrofenac
- Dichlofenal
- Cataflam
- Novapirina
- ProSorb-D
- 2-(2-((2,6-Dichlorophenyl)amino)phenyl)acetic acid
- Pennsaid
- Diclophenac
- Diclofenaco
- Voltarol
- Diclofenacum
- dichlofenac
- Voltaren
- Diclofenac acid
- 15307-86-5
- diclofenac
- Solaraze
Diclofenac Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of diclofenac? |
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C14H11Cl2NO2 |
How many atoms and what are the elements included the diclofenac molecule? |
30 atom(s) - 11 Hydrogen atom(s), 14 Carbon atom(s), 1 Nitrogen atom(s), 2 Oxygen atom(s), and 2 Chlorine atom(s) |
How many chemical bonds and what kind of bonds are included the diclofenac structure? |
31 bond(s) - 20 non-H bond(s), 13 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 secondary amine(s) (aromatic), and 1 hydroxyl group(s) |
What’s the diclofenac’s molecular weight? |
296.14804 g/mol |
What’s the SMILES code of diclofenac? |
OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl |
What’s the InChI string of diclofenac? |
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) |
What’s the InChIKey code of diclofenac? |
DCOPUUMXTXDBNB-UHFFFAOYSA-N |