Meclizine dihydrochloride monohydrate

C₂₅H₃₁Cl₃N₂OCAS 31884-77-2481.89 g/mol

Open in Covalent MOL file

Aryl halide Tertiary amine

Properties

Molecular formula: C₂₅H₃₁Cl₃N₂O
Molar mass: 481.89 g/mol
Exact mass: 480.1502 Da
logP: 5.57Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Identifiers

CAS number

31884-77-2

SMILES

Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.Cl.Cl.O

InChIKey

KDLHYOMCWBWLMM-UHFFFAOYSA-N

InChI

InChI=1S/C25H27ClN2.2ClH.H2O/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23;;;/h2-13,18,25H,14-17,19H2,1H3;2*1H;1H2

Weigh it out

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

Names and synonyms

3 names

Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-4-[(3-methylphenyl)methyl]-, hydrochloride, hydrate (1:2:1)
Piperazine, 1-(p-chloro-α-phenylbenzyl)-4-(m-methylbenzyl)-, dihydrochloride, monohydrate
Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-4-[(3-methylphenyl)methyl]-, dihydrochloride, monohydrate

Work with Meclizine dihydrochloride monohydrate

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 hydrochloride1104-22-993 % similar Meclizine569-65-387 % similar Buclizine hydrochloride129-74-864 % similar 2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol109806-71-552 % similar Hydroxyzine hydrochloride2192-20-352 % similar Levocetirizine dihydrochloride130018-87-048 % similar Cetirizine hydrochloride83881-52-148 % similar (-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine130018-88-147 % similar

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

Elsewhere

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