1-[(4-chlorophenyl)(phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine dihydrochloride

• ChemBase ID: 70386
• Molecular Formular: C25H29Cl3N2
• Molecular Mass: 463.87016
• Monoisotopic Mass: 462.13963198
• SMILES: N1(CCN(CC1)Cc1cc(ccc1)C)C(c1ccccc1)c1ccc(cc1)Cl.Cl.Cl
• Canonical SMILES: Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)Cc1cccc(c1)C.Cl.Cl
• InChI: InChI=1S/C25H27ClN2.2ClH/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
• InChIKey: VCTHNOIYJIXQLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(4-chlorophenyl)(phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine dihydrochloride
• IUPAC Traditional name: meclizine dihydrochloride; (+-)-meclizine dihydrochloride
• Synonyms: 1-((4-Chlorophenyl)(phenyl)methyl)-4-(3-methylbenzyl)piperazine dihydrochloride; Meclizine dihydrochloride; 1-[(4-chlorophenyl)(phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine dihydrochloride; 1-[(4-Chlorophenyl)phenyl-methyl]-4-[3-methylphenyl)-methyl]piperazine; MECLIZINE

Database IDs

• CAS Number: 1104-22-9
• EC Number: 214-164-8
• MDL Number: MFCD00058199
• PubChem SID: 162036106
• PubChem CID: 64713

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7845445
• LogD (pH = 7.4): 5.558482
• Log P: 6.3879414
• Molar Refractivity: 119.3922 cm^3
• Polarizability: 46.576492 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 231 - 233°C
• Hydrophobicity(logP): 6.732

Safety Information

• Storage Condition: -20°C; 2-8°C
• Storage Warning: IRRITANT
• RTECS: TL2005000
• TSCA Listed: false

Pharmacology Properties

• Target: P2X(7) receptor

Product Information

• Purity: 95%; 95+%
• Salt Data: dihydrochloride

DETAILS

MP Biomedicals - 02155341

(1-[(4-Chlorophenyl)phenyl- methyl]-4-[3-methylphenyl)- methyl]piperazine) Dihydrochloride Crystalline

Selleck Chemicals - S1986

Biological Activity:
Meclizine dihydrochloride is a human pregnane X receptor (hPXR) agonist and histamine H1 receptor antagonist. Meclizine dihydrochloride is stronger activator of hPXR than rat PXR. Meclizine dihydrochloride increases hPXR target gene expression in human hepatocyte primary cultures. Meclizine dihydrochloride is an antihistamine considered to be an antiemetic. Meclizine dihydrochloride possesses anticholinergic, central nervous system depressant, and local anesthetic effects. Meclizine dihydrochloride depresses labyrinth excitability and vestibular stimulation, and it may affect the medullary chemoreceptor trigger zone. Meclizine dihydrochloride is used to treat or prevent nausea, vomiting, and dizziness caused by motion sickness. [1]References on Meclizine 2HCl[1] http://en.wikipedia.org/wiki/Meclozine, ,

REFERENCES

• http://en.wikipedia.org/wiki/Meclozine