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Assaren

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 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.

External Resources

All Properties

Comprehensive physical and chemical properties

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

Physical Properties

Property Value Source
LogP 3.9833000000000016 RDKit
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

Molar

Property Value Source
Molar Refractivity 83.28050000000003 RDKit

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