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Molecule
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 Mass
- 368.52 g/mol
Identifiers
CAS Registry Number
298-57-7
SMILES
C(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChI Key
DERZBLKQOCDDDZ-UHFFFAOYSA-N
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
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 368.52 g/mol | CAS Common Chemistry |
| 368.5240000000001 g/mol | RDKit | |
| 368.524 g/mol | RDKit | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.13 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | C=1C=CC(=CC1)C=CCN2CCN(CC2)C(C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=DERZBLKQOCDDDZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120.2 °C | CAS Common Chemistry |
| Name | Cinnarizine | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| 6.02 Ų | chempirical lib | |
| LogP | 5.1070000000000055 | RDKit |
| 5.107 | RDKit | |
| 5.12 | chempirical lib | |
| Molar Refractivity | 118.21600000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2308 | RDKit |
| 0.23 | chempirical lib | |
| Exact Mass | 368.225248896 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 368.52 g/mol; density = 1.130 g/mL. Edit any field — others recompute live.
