chempirical

Levocetirizine dihydrochloride

C21H27Cl3N2O3CAS 130018-87-0461.81 g/mol

Open in Covalent MOL file
HClHClOHOONNCl
Aryl halideCarboxylic acidEtherTertiary amine

Properties

Molecular formula
C21H27Cl3N2O3
Molar mass
461.81 g/mol
Exact mass
460.1087 Da
logP
3.99Crippen estimate
Polar surface area
53.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
8
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
130018-87-0
SMILES
Cl.Cl.O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIKey
PGLIUCLTXOYQMV-GHVWMZMZSA-N
InChI
InChI=1S/C21H25ClN2O3.2ClH/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26;;/h1-9,21H,10-16H2,(H,25,26);2*1H/t21-;;/m1../s1

Weigh it out

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

Names and synonyms

12 names
  • Acetic acid, 2-[2-[4-[(R)-(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, hydrochloride (1:2)
  • Acetic acid, [2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, dihydrochloride, (R)-
  • Acetic acid, [2-[4-[(R)-(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, dihydrochloride
  • Xusal
  • Xyzal
  • Xyzall
  • UCB 28556
  • (R)-Cetirizine dihydrochloride
  • (R)-(-)-Cetirizine hydrochloride
  • Allercet
  • Lezyncet
  • Allear

Work with Levocetirizine 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

(-)-Cetirizine130018-77-894 % similar Cetirizine83881-51-094 % similar Hydroxyzine hydrochloride2192-20-369 % similar (±)-Hydroxyzine68-88-263 % similar Hydroxydiethylphenamine13073-96-656 % similar 2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol109806-71-555 % similar Hydroxyzine pamoate10246-75-050 % similar Meclizine hydrochloride1104-22-950 % similar

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

Same formula

Cetirizine hydrochloride83881-52-1

Elsewhere

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