chempirical

Lofexidine hydrochloride

C11H13Cl3N2OCAS 21498-08-8295.59 g/mol

Open in Covalent MOL file
OClClNNHHCl
AmidineAryl halideEther

Properties

Molecular formula
C11H13Cl3N2O
Molar mass
295.59 g/mol
Exact mass
294.0093 Da
Melting point
221–223 °C
logP
3.18Crippen estimate
Polar surface area
33.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
21498-08-8
SMILES
CC(Oc1c(Cl)cccc1Cl)C1=NCCN1.Cl
InChIKey
DWWHMKBNNNZGHF-UHFFFAOYSA-N
InChI
InChI=1S/C11H12Cl2N2O.ClH/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13;/h2-4,7H,5-6H2,1H3,(H,14,15);1H

Weigh it out

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

Names and synonyms

9 names
  • 1H-Imidazole, 2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-, hydrochloride (1:1)
  • 2-Imidazoline, 2-[1-(2,6-dichlorophenoxy)ethyl]-, monohydrochloride
  • 1H-Imidazole, 2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-, monohydrochloride
  • Britlofex
  • Loxacor
  • Lofetensin
  • MDL 14042
  • Baq 168
  • 2-(1-(2,6-Dichlorophenoxy)ethyl)-4,5-dihydro-1H-imidazole hydrochloride

Work with Lofexidine hydrochloride

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

Lofexidine31036-80-392 % similar Clonidine hydrochloride4205-91-847 % similar Clonidine4205-90-740 % similar Tetrahydrozoline hydrochloride522-48-540 % similar Apraclonidine hydrochloride73218-79-838 % similar Tolazoline hydrochloride59-97-235 % similar (±)-Tetrahydrozoline84-22-034 % similar Naphazoline hydrochloride550-99-233 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook