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Assaren
CAS: 15307-79-6 | C14H11Cl2NNaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15307-79-6
Molecular Formula:
C14H11Cl2NNaO2
Molecular Weight:
319.14300000000003 g/mol
Names and Synonyms:
Assaren
Primofenac
Diclofenac Sodium
Dynapar
Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, sodium salt (1:1)
Acetic acid, [o-(2,6-dichloroanilino)phenyl]-, monosodium salt
Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, monosodium salt
N-(2,6-Dichlorophenyl)-o-aminophenylacetic acid sodium salt
GP 45840
[o-(2,6-Dichloroanilino)phenyl]acetic acid sodium salt
Diclofenac sodium
Voltaren
Diclophenac sodium
Sodium [o-(2,6-dichloroanilino)phenyl]acetate
Sodium diclofenac
Voltarol
Diclofenac sodium salt
Feloran
Orthofen
2-(2,6-Dichloroanilino)phenylacetic acid sodium salt
Orthophen
Hyanalgese D
Inflaban
Naclof
Diklovit
SR 318B
Diclofen SR 100
Sorelmon
Voltaren Ophtha CD
Voltaren Ophtha
Voveran
Voldal
Rhumalgan
Kriplex
Effekton
Duravolten
Dicloreum
Evofenac
Diclo-Puren
Valetan
Neriodin
Dichronic
Novapirina
Dolobasan
Diclord
Diclo-Phlogont
Delphimix
Prophenatin
Diclobenin
Xenid
Allvoran
Benfofen
Tsudohmin
Profenac
Fortfen
Diclofenac-Na Emulgel
Diclofenacsodium Emulgel
Dyclo
Diclokalium
Diclorep
Diclodyn
Diacron
Dyloject
Diclobene
Naclofen
Dicloberl Retard
Dicloberl
Dicloran CP
Diclofenac retard
Declophen
Naclofen Duo
diclotard
Refen retard
Refen
Diclon
Dicloflex
Panamor
Modifenac
Abitren
Olfen
Dedolor
Deflamat
Dicloran Plus
Dolaut
Dikloron
Saffrac
Daispas
Bolabomin
Voltral
Diclogesic
2-[2-[(2,6-Dichlorophenyl)amino]phenyl]acetic acid sodium salt
Neurodiclovit
Neurofenac
Phlogin
Diclomol
Voveran Plus
Difene
Identifiers:
SMILES:
O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[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);
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 319.14 g/mol | Legacy Database |
| density | 0.56 g/cm³ | Legacy Database |
| cas-canonical-smile | [Na].O=C(O)CC=1C=CC=CC1NC=2C(Cl)=CC=CC2Cl None | Legacy Database |
| cas-density | 0.563 g/cm3 None | Legacy Database |
| cas-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); None | Legacy Database |
| cas-inchi-key | InChIKey=VSFBPYWDRANDLM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 283-285 °C None | Legacy Database |
| cas-name | Diclofenac sodium None | Legacy Database |
| LogP | 3.9833000000000016 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 319.14300000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 318.00645323200007 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 20 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 49.33 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 83.28050000000003 | RDKit |
