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Cinnarizine
CAS: 298-57-7 | C26H28N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
298-57-7
Molecular Formula:
C26H28N2
Molecular Weight:
368.5240000000001 g/mol
Names and Synonyms:
Cinnarizine
Piperazine, 1-(diphenylmethyl)-4-(3-phenyl-2-propen-1-yl)-
Piperazine, 1-cinnamyl-4-(diphenylmethyl)-
Piperazine, 1-(diphenylmethyl)-4-(3-phenyl-2-propenyl)-
1-(Diphenylmethyl)-4-(3-phenyl-2-propen-1-yl)piperazine
R 516
R 1575
N-Benzhydryl-N′-cinnamylpiperazine
1-Cinnamyl-4-(diphenylmethyl)piperazine
Cinnarizine
Dimitronal
1-Diphenylmethyl-4-cinnamoylpiperazine
Marisan
Midronal
Mitronal
Stugeron
Glanil
Labyrin
Dimitron
Stutgeron
Stutgin
Toliman
Folcodal
Sepan
1-Benzhydryl-4-cinnamylpiperazine
Lazeta
1-Cinnamyl-4-benzhydrylpiperazine
1-(3-Phenylallyl)-4-(diphenylmethyl)piperazine
Artate
Cinazyn
Apotomin
Corathiem
Cinaperazine
Katoseran
Giganten
Cerepar
Spaderizine
Cinnageron
Cerebolan
Hilactan
Cinnipirine
Denapol
Eglen
Carecin
Cinnacet
Sedatromin
Ixterol
Siptazin
Aplactan
Olamin
516MD
Processine
Aplexal
Cinarizine
Vergo
Stunarone
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 |
| LogP | 5.1070000000000055 | RDKit |
| 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 |
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 |
