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569-65-3 molecular structure
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1-[(4-chlorophenyl)(phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine

ChemBase ID: 617
Molecular Formular: C25H27ClN2
Molecular Mass: 390.94828
Monoisotopic Mass: 390.18627655
SMILES and InChIs

SMILES:
Clc1ccc(C(N2CCN(CC2)Cc2cc(ccc2)C)c2ccccc2)cc1
Canonical SMILES:
Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)Cc1cccc(c1)C
InChI:
InChI=1S/C25H27ClN2/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
InChIKey:
OCJYIGYOJCODJL-UHFFFAOYSA-N

Cite this record

CBID:617 http://www.chembase.cn/molecule-617.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(4-chlorophenyl)(phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
IUPAC Traditional name
(+-)-meclizine
meclizine
Brand Name
Ancolan
Ancolon
Antivert
Antivert/25
Antivert/50
Bonadettes
Bonadoxin
Bonamine
Bonine
Calmonal
Chiclida
Diadril
Dramamine
Dramamine II
Histamethine
Histamethizine
Histametizine
Histametizyne
Itinerol
Marex
Meclicot
Meclizine Hcl
Meclozine
Medivert
Monamine
Navicalm
Neo-Istafene
Neo-Suprimal
Neo-Suprimel
Parachloramine
Peremesin
Postafene
Ravelon
Sabari
Sea-Legs
Siguran
Subari
Suprimal
Travelon
Veritab
Vomisseis
Vomissels
Synonyms
Meclizine
1-[(4-chlorophenyl)(phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
Meclozine
CAS Number
569-65-3
MDL Number
MFCD00242697
PubChem SID
160964080
46507782
PubChem CID
4034
ATC CODE
R06AE05
CHEMBL
1623
Chemspider ID
3894
DrugBank ID
DB00737
IUPHAR ligand ID
2757
Unique Ingredient Identifier
3L5TQ84570
Wikipedia Title
Meclozine
Medline Plus
a682548

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-58334 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
H Acceptors H Donor
LogD (pH = 5.5) 3.7845445  LogD (pH = 7.4) 5.558482 
Log P 6.3879414  Molar Refractivity 119.3922 cm3
Polarizability 46.576492 Å3 Polar Surface Area 6.48 Å2
Rotatable Bonds Lipinski's Rule of Five false 
Log P 5.59  LOG S -5.58 
Solubility (Water) 1.03e-03 g/l 

PROPERTIES

PROPERTIES

Physical Property Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
0.1gm/100ml expand Show data source
Boiling Point
230°C (446°F) expand Show data source
Hydrophobicity(logP)
5.8 expand Show data source
6.732 expand Show data source
Admin Routes
Oral, Sublingual/Buccal expand Show data source
Half Life
6 hours expand Show data source
Metabolism
hepatic expand Show data source
Legal Status
OTC (US); OTC (Canada) expand Show data source
Pregnancy Category
B (US) expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

DrugBank DrugBank Wikipedia Wikipedia
DrugBank - DB00737 external link
Item Information
Drug Groups approved
Description A histamine H1 antagonist used in the treatment of motion sickness, vertigo, and nausea during pregnancy and radiation sickness. [PubChem]
Indication For the prevention and treatment of nausea, vomiting, or dizziness associated with motion sickness.
Pharmacology Meclizine, a piperazine-derivative H1-receptor antagonist similar to buclizine, cyclizine, and hydroxyzine, is used as an antivertigo/antiemetic agent. Meclizine is used in the management of nausea, vomiting, and dizziness associated with motion sickness and vertigo in diseases affecting the vestibular apparatus.
Toxicity Symptoms of overdose include drowsiness and anticholinergic effects. LD50=mg/kg (orally in rat).
Affected Organisms
Humans and other mammals
Biotransformation Hepatic
Absorption Well absorbed
Half Life 6 hours
External Links
Wikipedia
RxList
Drugs.com

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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