chempirical

Diclofenac epolamine

C20H24Cl2N2O3CAS 119623-66-4411.32 g/mol

Open in Covalent MOL file
OOHNHClClHON
AlcoholAryl halideCarboxylic acidSecondary amineTertiary amine

Properties

Molecular formula
C20H24Cl2N2O3
Molar mass
411.32 g/mol
Exact mass
410.1164 Da
logP
4.44Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
6

Identifiers

CAS number
119623-66-4
SMILES
O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl.OCCN1CCCC1
InChIKey
DCERVXIINVUMKU-UHFFFAOYSA-N
InChI
InChI=1S/C14H11Cl2NO2.C6H13NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;8-6-5-7-3-1-2-4-7/h1-7,17H,8H2,(H,18,19);8H,1-6H2

Weigh it out

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

Names and synonyms

5 names
  • Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, compd. with 1-pyrrolidineethanol (1:1)
  • 1-Pyrrolidineethanol, 2-[(2,6-dichlorophenyl)amino]benzeneacetate (salt)
  • Diclofenac 1-(2-hydroxyethyl)pyrrolidine salt
  • Diclofenac N-(2-hydroxyethyl)pyrrolidine salt
  • Flector patch

Work with Diclofenac epolamine

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

Diclofenac15307-86-574 % similar Diclofenac diethylamine78213-16-864 % similar Aceclofenac89796-99-657 % similar (2-Chlorophenyl)acetic acid2444-36-250 % similar Diclofenac sodium15307-79-648 % similar Diclofenac potassium15307-81-048 % similar Lumiracoxib220991-20-847 % similar 3-Chloro-2-fluorobenzeneacetic acid261762-96-343 % similar

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

Elsewhere

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