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Meclizine
CAS: 569-65-3 | C25H27ClN2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
569-65-3
Molecular Formula:
C25H27ClN2
Molecular Mass:
390.96 g/mol
Names and Synonyms:
Meclizine
Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-4-[(3-methylphenyl)methyl]-
Piperazine, 1-(p-chloro-α-phenylbenzyl)-4-(m-methylbenzyl)-
1-[(4-Chlorophenyl)phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine
U.C.B. 5062
Ancolan
Bonine
1-(p-Chlorobenzhydryl)-4-(m-methylbenzyl)diethylenediamine
1-(p-Chloro-α-phenylbenzyl)-4-(m-methylbenzyl)piperazine
Histametizyne
Neo-Istafene
Meclizine
Meclozine
Navicalm
Parachloramine
Postafene
1-(p-Chlorobenzhydryl)-4-(m-methylbenzyl)piperazine
Sabari
Suprimal
Ravelon
Vomisseis
(±)-Meclizine
NSC 169189
1-[(4-Chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine hydrate
Identifiers:
SMILES:
Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1
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
Key Properties
Boiling Point
230 °C @ Press: 2 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 390.96 g/mol | CAS Common Chemistry |
| 390.9580000000002 g/mol | RDKit | |
| 390.186276544 g/mol | RDKit | |
| Boiling Point | 230 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(C=C1)C(C=2C=CC=CC2)N3CCN(CC=4C=CC=C(C4)C)CC3 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=OCJYIGYOJCODJL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Meclizine | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 5.555620000000006 | RDKit |
| Molar Refractivity | 117.76600000000005 | RDKit |
