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Eperisone Hydrochloride
CAS: 56839-43-1 | C17H26ClNO
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
56839-43-1
Molecular Formula:
C17H26ClNO
Molecular Mass:
295.85 g/mol
Names and Synonyms:
Eperisone Hydrochloride
1-Propanone, 1-(4-ethylphenyl)-2-methyl-3-(1-piperidinyl)-, hydrochloride (1:1)
1-Propanone, 1-(4-ethylphenyl)-2-methyl-3-(1-piperidinyl)-, hydrochloride
Myonal
E 0646
4′-Ethyl-2-methyl-3-piperidinopropiophenone hydrochloride
Eperisone hydrochloride
EMPP
Mional
(±)-Eperisone hydrochloride
Skelact
Rapisone
Myosone plus
Identifiers:
SMILES:
CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1.Cl
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
Key Properties
Melting Point
170-172 °C
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 | 295.85 g/mol | CAS Common Chemistry |
| 295.85399999999987 g/mol | RDKit | |
| 295.170292132 g/mol | RDKit | |
| 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 |
| LogP | 3.9755000000000043 | RDKit |
| Molar Refractivity | 86.85350000000005 | RDKit |
