Diclofenac diethylamine

C₁₈H₂₂Cl₂N₂O₂CAS 78213-16-8369.29 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Secondary 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 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 6

Hazards

Danger

H301 Toxic if swallowed96.9% of notifiers
H311 Toxic in contact with skin84.6% of notifiers
H315 Causes skin irritation83.1% of notifiers
H319 Causes serious eye irritation83.1% of notifiers
H335 May cause respiratory irritation83.1% of notifiers

Aggregated from 65 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Diclofenac15307-86-5Free acid Diethylamine109-89-7Free base Diclofenac sodium15307-79-6Salt Etamsylate2624-44-4Salt Diclofenac potassium15307-81-0Salt Diethylamine salicylate4419-92-5Salt Diethylamine hydrobromide6274-12-0Salt Diclofenac epolamine119623-66-4Salt Diethylammonium chloride660-68-4Salt

Similar compounds

Aceclofenac89796-99-663 % similar Lumiracoxib220991-20-856 % similar o-Chlorophenylacetic acid2444-36-256 % similar 2-Anilinophenylacetic acid70172-33-754 % similar 3-Chloro-2-fluorobenzeneacetic acid261762-96-351 % similar 2,3-Dichlorophenylacetic acid10236-60-950 % similar 1,2-Benzenediacetic acid7500-53-045 % similar Robenacoxib220991-32-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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