chempirical

Retigabine dihydrochloride

C16H20Cl2FN3O2CAS 150812-13-8376.25 g/mol

Open in Covalent MOL file
OOHNNHFH2NHClHCl
Aryl halidePrimary amineSecondary amine

Properties

Molecular formula
C16H20Cl2FN3O2
Molar mass
376.25 g/mol
Exact mass
375.0917 Da
logP
4.45Crippen estimate
Polar surface area
79.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5

Identifiers

CAS number
150812-13-8
SMILES
CCOC(O)=Nc1ccc(NCc2ccc(F)cc2)cc1N.Cl.Cl
InChIKey
WSGFOWNASITQHJ-UHFFFAOYSA-N
InChI
InChI=1S/C16H18FN3O2.2ClH/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11;;/h3-9,19H,2,10,18H2,1H3,(H,20,21);2*1H

Weigh it out

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

Names and synonyms

4 names
  • Carbamic acid, N-[2-amino-4-[[(4-fluorophenyl)methyl]amino]phenyl]-, ethyl ester, hydrochloride (1:2)
  • Carbamic acid, [2-amino-4-[[(4-fluorophenyl)methyl]amino]phenyl]-, ethyl ester, dihydrochloride
  • Ethyl [2-amino-4-[[(4-fluorophenyl)methyl]amino]phenyl]carbamate dihydrochloride
  • D 20443

Work with Retigabine dihydrochloride

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

Retigabine150812-12-794 % similar Flupirtine maleate75507-68-543 % similar Ethyl N-phenylcarbamate101-99-534 % similar Thiophanate23564-06-933 % similar (2R)-2-(tert-Butoxycarbonylamino)-3-(4-fluorophenyl)propanoic acid57292-45-231 % similar Mosapride112885-41-331 % similar Ethoxazene hydrochloride2313-87-331 % similar Ethyl 4-fluorobenzoate451-46-731 % similar

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

Elsewhere

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