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Cinnarizine
CAS: 298-57-7 | C26H28N2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
298-57-7
Molecular Formula:
C26H28N2
Molecular Weight:
368.5240000000001 g/mol
Names and Synonyms:
Cinnarizine
Synonym
Piperazine, 1-(diphenylmethyl)-4-(3-phenyl-2-propen-1-yl)-
Synonym
Piperazine, 1-cinnamyl-4-(diphenylmethyl)-
Synonym
Piperazine, 1-(diphenylmethyl)-4-(3-phenyl-2-propenyl)-
Synonym
1-(Diphenylmethyl)-4-(3-phenyl-2-propen-1-yl)piperazine
Synonym
R 516
Synonym
R 1575
Synonym
N-Benzhydryl-N′-cinnamylpiperazine
Synonym
1-Cinnamyl-4-(diphenylmethyl)piperazine
Synonym
Cinnarizine
Synonym
Dimitronal
Synonym
1-Diphenylmethyl-4-cinnamoylpiperazine
Synonym
Marisan
Synonym
Midronal
Synonym
Mitronal
Synonym
Stugeron
Synonym
Glanil
Synonym
Labyrin
Synonym
Dimitron
Synonym
Stutgeron
Synonym
Stutgin
Synonym
Toliman
Synonym
Folcodal
Synonym
Sepan
Synonym
1-Benzhydryl-4-cinnamylpiperazine
Synonym
Lazeta
Synonym
1-Cinnamyl-4-benzhydrylpiperazine
Synonym
1-(3-Phenylallyl)-4-(diphenylmethyl)piperazine
Synonym
Artate
Synonym
Cinazyn
Synonym
Apotomin
Synonym
Corathiem
Synonym
Cinaperazine
Synonym
Katoseran
Synonym
Giganten
Synonym
Cerepar
Synonym
Spaderizine
Synonym
Cinnageron
Synonym
Cerebolan
Synonym
Hilactan
Synonym
Cinnipirine
Synonym
Denapol
Synonym
Eglen
Synonym
Carecin
Synonym
Cinnacet
Synonym
Sedatromin
Synonym
Ixterol
Synonym
Siptazin
Synonym
Aplactan
Synonym
Olamin
Synonym
516MD
Synonym
Processine
Synonym
Aplexal
Synonym
Cinarizine
Synonym
Vergo
Synonym
Stunarone
Synonym
Identifiers:
SMILES:
C(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChI:
InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 368.52 g/mol | Legacy Database |
| density | 1.13 g/cm³ | Legacy Database |
| cas-canonical-smile | C=1C=CC(=CC1)C=CCN2CCN(CC2)C(C=3C=CC=CC3)C=4C=CC=CC4 None | Legacy Database |
| cas-density | 1.13 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2 None | Legacy Database |
| cas-inchi-key | InChIKey=DERZBLKQOCDDDZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 120.2 °C None | Legacy Database |
| cas-name | Cinnarizine None | Legacy Database |
| LogP | 5.1070000000000055 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 368.5240000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 368.225248896 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 28 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 6.48 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 118.21600000000004 | RDKit |