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Molecule
Eperisone Hydrochloride
CAS: 56839-43-1 · C17H26ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 56839-43-1
- Molecular Formula
- C17H26ClNO
- Molecular Mass
- 295.85 g/mol
Identifiers
CAS Registry Number
56839-43-1
SMILES
CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1.Cl
InChI Key
GTAXGNCCEYZRII-UHFFFAOYSA-N
InChI
InChI=1S/C17H25NO.ClH/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18;/h7-10,14H,3-6,11-13H2,1-2H3;1H
Names and Synonyms
- Eperisone Hydrochloride Synonym
- 1-Propanone, 1-(4-ethylphenyl)-2-methyl-3-(1-piperidinyl)-, hydrochloride (1:1) Synonym
- 1-Propanone, 1-(4-ethylphenyl)-2-methyl-3-(1-piperidinyl)-, hydrochloride Synonym
- Myonal Synonym
- E 0646 Synonym
- 4′-Ethyl-2-methyl-3-piperidinopropiophenone hydrochloride Synonym
- Eperisone hydrochloride Synonym
- EMPP Synonym
- Mional Synonym
- (±)-Eperisone hydrochloride Synonym
- Skelact Synonym
- Rapisone Synonym
- Myosone plus Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 295.85 g/mol | CAS Common Chemistry |
| 295.85399999999987 g/mol | RDKit | |
| 295.854 g/mol | RDKit | |
| 295.851 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(C1=CC=C(C=C1)CC)C(C)CN2CCCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C17H25NO.ClH/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18;/h7-10,14H,3-6,11-13H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=GTAXGNCCEYZRII-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 170-172 °C | CAS Common Chemistry |
| Name | Eperisone hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 3.9755000000000043 | RDKit |
| 3.9755 | RDKit | |
| Molar Refractivity | 86.85350000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5882 | RDKit |
| 0.59 | chempirical lib | |
| Exact Mass | 295.170292132 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 295.85 g/mol. Edit any field — others recompute live.
