chempirical

Diclofenac diethylamine

C18H22Cl2N2O2CAS 78213-16-8369.29 g/mol

Open in Covalent MOL file
NHOOHNHClCl
Aryl halideCarboxylic acidSecondary amine

Properties

Molecular formula
C18H22Cl2N2O2
Molar mass
369.29 g/mol
Exact mass
368.1058 Da
Melting point
145–148 °C
logP
4.98Crippen estimate
Polar surface area
61.4 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
6

Identifiers

CAS number
78213-16-8
SMILES
CCNCC.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIKey
ZQVZPANTCLRASL-UHFFFAOYSA-N
InChI
InChI=1S/C14H11Cl2NO2.C4H11N/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;1-3-5-4-2/h1-7,17H,8H2,(H,18,19);5H,3-4H2,1-2H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, compd. with N-ethylethanamine (1:1)
  • Ethanamine, N-ethyl-, 2-[(2,6-dichlorophenyl)amino]benzeneacetate
  • Diclofenac diethylammonium salt
  • Voltaren emulgel
  • Diclofenac diethylamine salt
  • Atomo desinflamante
  • Voltaren schmerzgel
  • Dynapar QPS

Work with Diclofenac diethylamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diclofenac15307-86-583 % similar Diclofenac epolamine119623-66-464 % similar Aceclofenac89796-99-663 % similar Lumiracoxib220991-20-856 % similar (2-Chlorophenyl)acetic acid2444-36-256 % similar Diclofenac sodium15307-79-653 % similar Diclofenac potassium15307-81-053 % similar 3-Chloro-2-fluorobenzeneacetic acid261762-96-351 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook