chempirical

Buclizine hydrochloride

C28H35Cl3N2CAS 129-74-8505.95 g/mol

Open in Covalent MOL file
NNClHClHCl
Aryl halideTertiary amine

Properties

Molecular formula
C28H35Cl3N2
Molar mass
505.95 g/mol
Exact mass
504.1866 Da
Melting point
230–240 °C
logP
7.39Crippen estimate
Polar surface area
6.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
129-74-8
SMILES
CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1.Cl.Cl
InChIKey
SDBHDSZKNVDKNU-UHFFFAOYSA-N
InChI
InChI=1S/C28H33ClN2.2ClH/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24;;/h4-16,27H,17-21H2,1-3H3;2*1H

Weigh it out

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

Names and synonyms

19 names · show all
  • Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-4-[[4-(1,1-dimethylethyl)phenyl]methyl]-, hydrochloride (1:2)
  • Piperazine, 1-(p-tert-butylbenzyl)-4-(p-chloro-α-phenylbenzyl)-, dihydrochloride
  • Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-4-[[4-(1,1-dimethylethyl)phenyl]methyl]-, dihydrochloride
  • UCB 4445
  • Buclodin
  • 1-(p-tert-Butylbenzyl)-4-(p-chlorodiphenylmethyl)piperazine dihydrochloride
  • 1-(p-Chlorobenzhydryl)-4-(p-tert-butylbenzyl)diethylenediamine hydrochloride
  • 1-p-Chlorobenzhydryl-4-p-(t)-butylbenzylpiperazine dihydrochloride
  • Histabutyzine hydrochloride
  • Softran
  • Vibazine hydrochloride
  • Buclizine dihydrochloride
  • Longifene
  • Aphilan R
  • Buclina
  • Vibazine
  • Bucladin S
  • NSC 25141
  • 1-(4-(tert-Butyl)benzyl)-4-((4-chlorophenyl)(phenyl)methyl)piperazine dihydrochloride

Work with Buclizine 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

Meclizine hydrochloride1104-22-967 % similar Meclizine dihydrochloride monohydrate31884-77-264 % similar Meclizine569-65-362 % similar 2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol109806-71-552 % similar Hydroxyzine hydrochloride2192-20-352 % similar Levocetirizine dihydrochloride130018-87-050 % similar Cetirizine hydrochloride83881-52-150 % similar (-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine130018-88-147 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook