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Molecule
Neurofenac
CAS: 15307-79-6 · C14H11Cl2NNaO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15307-79-6
- Molecular Formula
- C14H11Cl2NNaO2
- Molecular Mass
- 319.14 g/mol
Identifiers
CAS Registry Number
15307-79-6
SMILES
O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na]
InChI Key
VSFBPYWDRANDLM-UHFFFAOYSA-N
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);
Names and Synonyms
- Neurofenac Synonym
- Phlogin Synonym
- Diclomol Synonym
- Voveran Plus Synonym
- Difene Synonym
- 2-[2-[(2,6-Dichlorophenyl)amino]phenyl]acetic acid sodium salt Synonym
- Neurodiclovit Synonym
- Kriplex Synonym
- Diclofenac Sodium Synonym
- Dynapar Synonym
- Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, sodium salt (1:1) Synonym
- Acetic acid, [o-(2,6-dichloroanilino)phenyl]-, monosodium salt Synonym
- Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, monosodium salt Synonym
- N-(2,6-Dichlorophenyl)-o-aminophenylacetic acid sodium salt Synonym
- GP 45840 Synonym
- [o-(2,6-Dichloroanilino)phenyl]acetic acid sodium salt Synonym
- Diclofenac sodium Synonym
- Voltaren Synonym
- Diclophenac sodium Synonym
- Sodium [o-(2,6-dichloroanilino)phenyl]acetate Synonym
- Sodium diclofenac Synonym
- Voltarol Synonym
- Diclofenac sodium salt Synonym
- Feloran Synonym
- Orthofen Synonym
- 2-(2,6-Dichloroanilino)phenylacetic acid sodium salt Synonym
- Orthophen Synonym
- Hyanalgese D Synonym
- Inflaban Synonym
- Naclof Synonym
- Diklovit Synonym
- SR 318B Synonym
- Diclofen SR 100 Synonym
- Sorelmon Synonym
- Voltaren Ophtha CD Synonym
- Voltaren Ophtha Synonym
- Voveran Synonym
- Voldal Synonym
- Rhumalgan Synonym
- Effekton Synonym
- Duravolten Synonym
- Dicloreum Synonym
- Evofenac Synonym
- Diclo-Puren Synonym
- Valetan Synonym
- Neriodin Synonym
- Dichronic Synonym
- Novapirina Synonym
- Dolobasan Synonym
- Primofenac Synonym
- Diclord Synonym
- Diclo-Phlogont Synonym
- Delphimix Synonym
- Assaren Synonym
- Prophenatin Synonym
- Diclobenin Synonym
- Xenid Synonym
- Allvoran Synonym
- Benfofen Synonym
- Tsudohmin Synonym
- Profenac Synonym
- Fortfen Synonym
- Diclofenac-Na Emulgel Synonym
- Diclofenacsodium Emulgel Synonym
- Dyclo Synonym
- Diclokalium Synonym
- Diclorep Synonym
- Diclodyn Synonym
- Diacron Synonym
- Dyloject Synonym
- Diclobene Synonym
- Naclofen Synonym
- Dicloberl Retard Synonym
- Dicloberl Synonym
- Dicloran CP Synonym
- Diclofenac retard Synonym
- Declophen Synonym
- Naclofen Duo Synonym
- diclotard Synonym
- Refen retard Synonym
- Refen Synonym
- Diclon Synonym
- Dicloflex Synonym
- Panamor Synonym
- Modifenac Synonym
- Abitren Synonym
- Olfen Synonym
- Dedolor Synonym
- Deflamat Synonym
- Dicloran Plus Synonym
- Dolaut Synonym
- Dikloron Synonym
- Saffrac Synonym
- Daispas Synonym
- Bolabomin Synonym
- Voltral Synonym
- Diclogesic Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 319.14 g/mol | CAS Common Chemistry |
| 319.14300000000003 g/mol | RDKit | |
| 319.143 g/mol | RDKit | |
| 320.145 g/mol | chempirical lib | |
| Density | 0.56 g/cm³ | CAS Common Chemistry |
| 0.563 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Na].O=C(O)CC=1C=CC=CC1NC=2C(Cl)=CC=CC2Cl | CAS Common Chemistry |
| 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); | CAS Common Chemistry |
| InChI Key | InChIKey=VSFBPYWDRANDLM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 283-285 °C | CAS Common Chemistry |
| Name | Diclofenac sodium | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 49.33 Ų | RDKit |
| LogP | 3.9833000000000016 | RDKit |
| 3.9833 | RDKit | |
| Molar Refractivity | 83.28050000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0714 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 318.00645323200007 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 319.14 g/mol; density = 0.560 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H11Cl2NNaO2.
