Meclozine Dihydrochloride
Basic information
- CAS
1104-22-9- Standard SMILES
Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.Cl.Cl- InChIKey
VCTHNOIYJIXQLV-UHFFFAOYSA-N- Molecular formula
- C25H29Cl3N2
- Average molar mass
- 463.9 g/mol
- Monoisotopic mass
- 462.139632
Names & identifiers
- Preferred name
- Meclozine Dihydrochloride
- IUPAC
- 1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine;dihydrochloride
- English name
- Meclizine dihydrochloride
- Molecular formula
- C25H29Cl3N2
- Molecular weight
- 463.87
Names & synonyms
1104-22-9Meclozine dihydrochlorideDTXSID9045348DTXCID70253481-(p-chloro-alpha-phenylbenzyl)-4-(m-methylbenzyl)piperazine DihydrochlorideRefChem:1088900214-164-8Meclizine dihydrochloride1-((4-Chlorophenyl)(phenyl)methyl)-4-(3-methylbenzyl)piperazine dihydrochlorideMeclizine 2HClVertizineTaizer
Show more names
Meclozine HclbonamineNSC 28728Navidoxine)-4-(3-methyLMeclizine diHClMeclozine ,Bonamineancolandihydrochloride
Ancolan dihydrochlorideV-ClineDiadrilMeclizine hydrochloride anhydrousMFCD00058199Postafene dihydrochloride1-[(4-chlorophenyl)(phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine dihydrochlorideMeclizine (dihydrochloride)
Database identifiers
- CAS
1104-22-9- PubChem CID
- 64713
- DTXSID
DTXSID9045348- ChEMBL
CHEMBL1324020- UNII
- L997QXC9J1
- EC Number
- 214-164-8
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 447
Physicochemical properties
- Melting point
- 210 to · 210.0 to 214.0 °C
- storage temp.
- 2 · 2-8°C
- solubility
- 5 mg/mL, · DMSO: soluble5mg/mL, clear (warmed)
- form
- powder
- color
- white to beige
- 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
- SMILES
- [Cl-].[Cl-].Clc1ccc(cc1)C(N3CCN(CC3)Cc4cc(ccc4)C)c2ccccc2.[H+].[H+]
- CAS DataBase Reference
- 1104 · 1104-22-9(CAS DataBase Reference)
- FDA UNII
- 997 QXC9J1 · L997QXC9J1
- EPA Substance Registry System
- 1 · Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-4-[(3-methylphenyl)methyl]-, dihydrochloride (1104-22-9)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Other Safety InformationIMAP assessments - Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-4-[(3-methylphenyl)methyl]-, dihydrochloride: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TL2005000
- hs_code
- 2933.59.8000
- Toxicity
- LD50 oral in mouse: 1600mg/kg
- risk_code
- 22-63
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 22-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H361
- Hazard Classifications
- Acute Tox. 4 OralRepr. 2
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPiperazine, 1-[(4-chlorophenyl)phenylmethyl]-4-[(3-methylphenyl)methyl]-, hydrochloride (1:2): INACTIVE
Applications
DescriptionMeclizine is a histamine H1 receptor antagonist (Ki = 250 nM). Pretreatment with meclizine (2.5-30 mg/kg, i.p.) reduces ovalbumin-induced mast cell degranulation, edema, and leukocyte influx in rat lung. Formulations containing meclizine have been used in the treatment of motion sickness and vertigo.
UsesMeclizine Dihydrochloride is a histamine H1 receptor antagonist with antiemetic properties. Meclizine Dihydrochloride is a research product for neuroscience. This compound may exhibit neuroprotective properties.
UsesAntiemetic;Histamine antagonist
Usescholinergic, diagnostic aid
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…